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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3)transporters (7) Show 10 proteins XML

enzymes (3)transporters (7) Show 10 proteins

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2006-05-18 08:52:05 UTC

Update Date

2022-03-07 02:49:11 UTC

HMDB ID

HMDB0001933

Secondary Accession Numbers

HMDB01933

Metabolite Identification

Common Name

Furosemide

Description

Furosemide or frusemide is a loop diuretic used in the treatment of congestive heart failure and edema. It is most commonly marketed by Aventis Pharma under the brand name Lasix. It has also been used to prevent thoroughbred race horses from bleeding through the nose during races. An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed) It acts by inhibiting translocation during protein synthesis.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001933
     RDKit          3D
Furosemide
 32 33  0  0  0  0  0  0  0  0999 V2000
   -5.5826   -0.2274   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5471    1.1140   -0.2576 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.7995    2.1353    0.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8354    1.7621   -1.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    0.6528   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403   -0.6369   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -0.9799   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -2.3727    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861   -2.8601    0.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -3.3128    0.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.0085   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688   -0.2668   -0.1358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.8403   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    0.3599   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768    1.0754   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295    0.1898   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -1.0505   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   -0.9154   -0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515    1.3197   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    1.6225   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    3.2887   -0.5461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -0.9610    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5072    0.1284    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -1.4073    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -3.8360   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.1973   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398    1.5023    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.3742   -1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.1384   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    0.4181   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641   -1.9877    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    2.0986   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 20  5  1  0
 18 14  1  0
  1 22  1  0
  1 23  1  0
  6 24  1  0
 10 25  1  0
 12 26  1  0
 13 27  1  0
 13 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  0
 19 32  1  0
M  END

695
  Mrv1652305271900132D          

 21 22  0  0  0  0            999 V2000
    1.6500    1.5381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    2.3631    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -2.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    2.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    2.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    3.1881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970   -2.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -3.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -3.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  6 18  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001933

> <DATABASE_NAME>
hmdb

> <SMILES>
NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)

> <INCHI_KEY>
ZZUFCTLCJUWOSV-UHFFFAOYSA-N

> <FORMULA>
C12H11ClN2O5S

> <MOLECULAR_WEIGHT>
330.744

> <EXACT_MASS>
330.007719869

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
30.554962070680062

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid

> <ALOGPS_LOGP>
2.71

> <JCHEM_LOGP>
1.7484020586666662

> <ALOGPS_LOGS>
-3.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.830331077568495

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.251508024776027

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5214274626562077

> <JCHEM_POLAR_SURFACE_AREA>
122.63000000000001

> <JCHEM_REFRACTIVITY>
77.47420000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.18e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
furosemide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001933
     RDKit          3D
Furosemide
 32 33  0  0  0  0  0  0  0  0999 V2000
   -5.5826   -0.2274   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5471    1.1140   -0.2576 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.7995    2.1353    0.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8354    1.7621   -1.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    0.6528   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403   -0.6369   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -0.9799   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -2.3727    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861   -2.8601    0.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -3.3128    0.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.0085   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688   -0.2668   -0.1358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.8403   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    0.3599   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768    1.0754   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295    0.1898   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -1.0505   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   -0.9154   -0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515    1.3197   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    1.6225   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    3.2887   -0.5461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -0.9610    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5072    0.1284    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -1.4073    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -3.8360   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.1973   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398    1.5023    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.3742   -1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.1384   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    0.4181   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641   -1.9877    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    2.0986   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 20  5  1  0
 18 14  1  0
  1 22  1  0
  1 23  1  0
  6 24  1  0
 10 25  1  0
 12 26  1  0
 13 27  1  0
 13 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  0
 19 32  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 695                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1 Cl   UNK     0       3.080   2.871   0.000  0.00  0.00          Cl+0
HETATM    2  S   UNK     0       5.747   4.411   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0       5.660  -4.964   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       4.207   4.411   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       7.287   4.411   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       9.748   0.561   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       8.415  -1.749   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       5.747  -1.749   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       5.747   5.951   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       5.747  -0.209   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.747   2.871   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.081   0.561   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.081   2.101   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.414  -2.519   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.414   0.561   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.414   2.101   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.414  -4.059   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.415  -0.209   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.168  -4.964   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.644  -6.429   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.184  -6.429   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2    4    5    9   11                                             
CONECT    3   17   21                                                       
CONECT    4    2                                                            
CONECT    5    2                                                            
CONECT    6   18                                                            
CONECT    7   18                                                            
CONECT    8   10   14                                                       
CONECT    9    2                                                            
CONECT   10    8   12   15                                                  
CONECT   11    2   13   16                                                  
CONECT   12   10   13   18                                                  
CONECT   13   11   12                                                       
CONECT   14    8   17                                                       
CONECT   15   10   16                                                       
CONECT   16    1   11   15                                                  
CONECT   17    3   14   19                                                  
CONECT   18    6    7   12                                                  
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21    3   20                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0001933
HETATM    1  N1  UNL     1      -5.583  -0.227  -0.082  1.00  0.00           N  
HETATM    2  S1  UNL     1      -4.547   1.114  -0.258  1.00  0.00           S  
HETATM    3  O1  UNL     1      -4.800   2.135   0.818  1.00  0.00           O  
HETATM    4  O2  UNL     1      -4.835   1.762  -1.603  1.00  0.00           O  
HETATM    5  C1  UNL     1      -2.854   0.653  -0.215  1.00  0.00           C  
HETATM    6  C2  UNL     1      -2.440  -0.637  -0.058  1.00  0.00           C  
HETATM    7  C3  UNL     1      -1.085  -0.980  -0.027  1.00  0.00           C  
HETATM    8  C4  UNL     1      -0.767  -2.373   0.143  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.386  -2.860   0.194  1.00  0.00           O  
HETATM   10  O4  UNL     1      -1.815  -3.313   0.269  1.00  0.00           O  
HETATM   11  C5  UNL     1      -0.122  -0.009  -0.156  1.00  0.00           C  
HETATM   12  N2  UNL     1       1.269  -0.267  -0.136  1.00  0.00           N  
HETATM   13  C6  UNL     1       2.211   0.840  -0.281  1.00  0.00           C  
HETATM   14  C7  UNL     1       3.606   0.360  -0.234  1.00  0.00           C  
HETATM   15  C8  UNL     1       4.777   1.075  -0.334  1.00  0.00           C  
HETATM   16  C9  UNL     1       5.830   0.190  -0.232  1.00  0.00           C  
HETATM   17  C10 UNL     1       5.238  -1.051  -0.072  1.00  0.00           C  
HETATM   18  O5  UNL     1       3.956  -0.915  -0.077  1.00  0.00           O  
HETATM   19  C11 UNL     1      -0.551   1.320  -0.317  1.00  0.00           C  
HETATM   20  C12 UNL     1      -1.893   1.623  -0.343  1.00  0.00           C  
HETATM   21 CL1  UNL     1      -2.403   3.289  -0.546  1.00  0.00          CL  
HETATM   22  H1  UNL     1      -5.232  -0.961   0.557  1.00  0.00           H  
HETATM   23  H2  UNL     1      -6.507   0.128   0.289  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.203  -1.407   0.044  1.00  0.00           H  
HETATM   25  H4  UNL     1      -2.120  -3.836  -0.540  1.00  0.00           H  
HETATM   26  H5  UNL     1       1.682  -1.197  -0.024  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.040   1.502   0.600  1.00  0.00           H  
HETATM   28  H7  UNL     1       2.048   1.374  -1.235  1.00  0.00           H  
HETATM   29  H8  UNL     1       4.839   2.138  -0.467  1.00  0.00           H  
HETATM   30  H9  UNL     1       6.900   0.418  -0.270  1.00  0.00           H  
HETATM   31  H10 UNL     1       5.764  -1.988   0.041  1.00  0.00           H  
HETATM   32  H11 UNL     1       0.213   2.099  -0.421  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3    3    4    4
CONECT    2    5
CONECT    5    6    6   20
CONECT    6    7   24
CONECT    7    8   11   11
CONECT    8    9    9   10
CONECT   10   25
CONECT   11   12   19
CONECT   12   13   26
CONECT   13   14   27   28
CONECT   14   15   15   18
CONECT   15   16   29
CONECT   16   17   17   30
CONECT   17   18   31
CONECT   19   20   20   32
CONECT   20   21
END

HMDB0001933
     RDKit          3D
Furosemide
 32 33  0  0  0  0  0  0  0  0999 V2000
   -5.5826   -0.2274   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5471    1.1140   -0.2576 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.7995    2.1353    0.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8354    1.7621   -1.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542    0.6528   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4403   -0.6369   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850   -0.9799   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673   -2.3727    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861   -2.8601    0.1941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8154   -3.3128    0.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1216   -0.0085   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688   -0.2668   -0.1358 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.8403   -0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    0.3599   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768    1.0754   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8295    0.1898   -0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -1.0505   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   -0.9154   -0.0772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515    1.3197   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8926    1.6225   -0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031    3.2887   -0.5461 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -0.9610    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5072    0.1284    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -1.4073    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -3.8360   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -1.1973   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398    1.5023    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    1.3742   -1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.1384   -0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    0.4181   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7641   -1.9877    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2129    2.0986   -0.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 20  5  1  0
 18 14  1  0
  1 22  1  0
  1 23  1  0
  6 24  1  0
 10 25  1  0
 12 26  1  0
 13 27  1  0
 13 28  1  0
 15 29  1  0
 16 30  1  0
 17 31  1  0
 19 32  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-Furfurylamino-4-chloro-5-sulfamoylbenzoic acid	ChEBI
4-Chloro-5-sulfamoyl-N-furfuryl-anthranilic acid	ChEBI
4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilic acid	ChEBI
4-Chloro-N-furfuryl-5-sulfamoylanthranilic acid	ChEBI
Frusemide	ChEBI
Lasix	ChEBI
2-Furfurylamino-4-chloro-5-sulfamoylbenzoate	Generator
2-Furfurylamino-4-chloro-5-sulphamoylbenzoate	Generator
2-Furfurylamino-4-chloro-5-sulphamoylbenzoic acid	Generator
4-Chloro-5-sulfamoyl-N-furfuryl-anthranilate	Generator
4-Chloro-5-sulphamoyl-N-furfuryl-anthranilate	Generator
4-Chloro-5-sulphamoyl-N-furfuryl-anthranilic acid	Generator
4-Chloro-N-(2-furylmethyl)-5-sulfamoylanthranilate	Generator
4-Chloro-N-(2-furylmethyl)-5-sulphamoylanthranilate	Generator
4-Chloro-N-(2-furylmethyl)-5-sulphamoylanthranilic acid	Generator
4-Chloro-N-furfuryl-5-sulfamoylanthranilate	Generator
4-Chloro-N-furfuryl-5-sulphamoylanthranilate	Generator
4-Chloro-N-furfuryl-5-sulphamoylanthranilic acid	Generator
Acetic acid potassium salt	HMDB
Aisemide	HMDB
Aldalix	HMDB
Aldic	HMDB
Aluzine	HMDB
Anfuramaide	HMDB
Apo-frusemide	HMDB
Apo-furosemide	HMDB
Aquarid	HMDB
Aquasin	HMDB
Arasemide	HMDB
Beronald	HMDB
Bioretic	HMDB
Cetasix	HMDB
Depix	HMDB
Desal	HMDB
Desdemin	HMDB
Dirine	HMDB
Disal	HMDB
Discoid	HMDB
Disemide	HMDB
Diural	HMDB
Diurapid	HMDB
Diuretic salt	HMDB
Diurin	HMDB
Diurolasa	HMDB
Diusemide	HMDB
Diusil	HMDB
Diuzol	HMDB
Dranex	HMDB
Dryptal	HMDB
Durafurid	HMDB
Edemid	HMDB
Edenol	HMDB
Eliur	HMDB
Endural	HMDB
Errolon	HMDB
Eutensin	HMDB
Farsix	HMDB
Fluidrol	HMDB
Fluss	HMDB
Franyl	HMDB
Frumex	HMDB
Frumide	HMDB
Frumil	HMDB
Frusedan	HMDB
Frusema	HMDB
Frusemid	HMDB
Frusemin	HMDB
Frusenex	HMDB
Frusetic	HMDB
Frusid	HMDB
Fulsix	HMDB
Fuluvamide	HMDB
Fuluvamine	HMDB
Furanthril	HMDB
Furanthryl	HMDB
Furantril	HMDB
Furanturil	HMDB
Furesis	HMDB
Furetic	HMDB
Furex	HMDB
Furfan	HMDB
Furix	HMDB
Furmid	HMDB
Furo-basan	HMDB
Furo-puren	HMDB
Furobeta	HMDB
Furocot	HMDB
Furodiurol	HMDB
Furodrix	HMDB
Furomen	HMDB
Furomex	HMDB
Furomide m.d.	HMDB
Furorese	HMDB
Furosan	HMDB
Furose	HMDB
Furosedon	HMDB
Furosemid	HMDB
Furosemida	HMDB
Furosemide "mita"	HMDB
Furosemidu	HMDB
Furosemidum	HMDB
Furosemix	HMDB
Furoside	HMDB
Furosifar	HMDB
Furosix	HMDB
Furoter	HMDB
Furovite	HMDB
Fursemid	HMDB
Fursemida	HMDB
Fursemide	HMDB
Fursol	HMDB
Fusid	HMDB
Fusidic acid	HMDB
Golan	HMDB
Hissuflux	HMDB
Hydrex	HMDB
Hydro	HMDB
Hydro-rapid	HMDB
Hydroled	HMDB
Impugan	HMDB
Jenafusid	HMDB
Katlex	HMDB
Kofuzon	HMDB
Kolkin	HMDB
Kutrix	HMDB
Lasemid	HMDB
Lasex	HMDB
Lasiletten	HMDB
Lasilix	HMDB
Lasix retard	HMDB
Laxur	HMDB
Lazix	HMDB
Less diur	HMDB
Liside	HMDB
Logirene	HMDB
Lowpston	HMDB
Lowpstron	HMDB
Luscek	HMDB
Macasirool	HMDB
Marsemide	HMDB
Mirfat	HMDB
Mita	HMDB
Moilarorin	HMDB
Nadis	HMDB
Nelsix	HMDB
Neo-renal	HMDB
Nephron	HMDB
Nicorol	HMDB
Novosemide	HMDB
Octan draselny	HMDB
Odemase	HMDB
Odemex	HMDB
Oedemex	HMDB
Osyrol	HMDB
Polysquall a	HMDB
Prefemin	HMDB
Profemin	HMDB
Promedes	HMDB
Promide	HMDB
Protargen	HMDB
Puresis	HMDB
Radisemide	HMDB
Radonna	HMDB
Radouna	HMDB
Retep	HMDB
Rosemide	HMDB
Rosis	HMDB
Rusyde	HMDB
Sal diureticum	HMDB
Salinex	HMDB
Salix	HMDB
Salurex	HMDB
Salurid	HMDB
Seguril	HMDB
Selectofur	HMDB
Sigasalur	HMDB
Spirofur	HMDB
Synephron	HMDB
Transit	HMDB
Trofurit	HMDB
Uremide	HMDB
Uresix	HMDB
Urex	HMDB
Urex-m	HMDB
Urian	HMDB
Uridon	HMDB
Uritol	HMDB
Urosemide	HMDB
Vesix	HMDB
Yidoli	HMDB
Zafimida	HMDB
Furantral	HMDB
Furosemide monohydrochloride	HMDB
Salix (brand OF furosemide)	HMDB
Furosemide monosodium salt	HMDB

Chemical Formula

C₁₂H₁₁ClN₂O₅S

Average Molecular Weight

330.744

Monoisotopic Molecular Weight

330.007719869

IUPAC Name

4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid

Traditional Name

furosemide

CAS Registry Number

54-31-9

SMILES

NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O

InChI Identifier

InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)

InChI Key

ZZUFCTLCJUWOSV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzenesulfonamides

Direct Parent

Aminobenzenesulfonamides

Alternative Parents

Substituents

Aminobenzenesulfonamide
4-halobenzoic acid or derivatives
Aminobenzoic acid
Aminobenzoic acid or derivatives
Halobenzoic acid or derivatives
4-halobenzoic acid
Halobenzoic acid
Benzenesulfonyl group
Benzoic acid
Benzoic acid or derivatives
Aniline or substituted anilines
Phenylalkylamine
Benzoyl
Aralkylamine
Secondary aliphatic/aromatic amine
Halobenzene
Chlorobenzene
Organosulfonic acid amide
Aryl chloride
Aryl halide
Furan
Heteroaromatic compound
Sulfonyl
Organosulfonic acid or derivatives
Organic sulfonic acid or derivatives
Aminosulfonyl compound
Vinylogous amide
Amino acid or derivatives
Amino acid
Oxacycle
Organoheterocyclic compound
Secondary amine
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organopnictogen compound
Organosulfur compound
Organic oxygen compound
Organic nitrogen compound
Amine
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

sulfonamide (CHEBI:47426 )
furans (CHEBI:47426 )
chlorobenzoic acid (CHEBI:47426 )

Ontology

Not Available

Kidney (HMDB: HMDB0001933)

Kidney (HMDB: HMDB0001933)

Biofluid or Excreta

Excreta

Feces (PMID: 25037050)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Furosemide Action Pathway (HMDB: HMDB0001933)

Furosemide Action Pathway (HMDB: HMDB0001933)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001933)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	295 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.073 mg/mL at 30 °C	Not Available
LogP	2.03	SANGSTER (1993)

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	Not Available	169.253	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000788

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.12 g/L	ALOGPS
logP	2.71	ALOGPS
logP	1.75	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	4.25	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	122.63 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	77.47 m³·mol⁻¹	ChemAxon
Polarizability	30.55 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	170.118	32859911
AllCCS	[M-H]-	164.896	32859911
DeepCCS	[M+H]+	167.254	30932474
DeepCCS	[M-H]-	164.896	30932474
DeepCCS	[M-2H]-	197.783	30932474
DeepCCS	[M+Na]+	173.347	30932474
AllCCS	[M+H]+	170.1	32859911
AllCCS	[M+H-H2O]+	166.9	32859911
AllCCS	[M+NH4]+	173.1	32859911
AllCCS	[M+Na]+	173.9	32859911
AllCCS	[M-H]-	164.9	32859911
AllCCS	[M+Na-2H]-	164.7	32859911
AllCCS	[M+HCOO]-	164.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Furosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	4359.2	Standard polar	33892256
Furosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	2617.9	Standard non polar	33892256
Furosemide	NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O	3011.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Furosemide,1TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1NCC1=CC=CO1	3043.9	Semi standard non polar	33892256
Furosemide,1TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3102.7	Semi standard non polar	33892256
Furosemide,1TMS,isomer #3	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)O	2896.6	Semi standard non polar	33892256
Furosemide,2TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	3006.3	Semi standard non polar	33892256
Furosemide,2TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	2969.5	Standard non polar	33892256
Furosemide,2TMS,isomer #1	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	3673.4	Standard polar	33892256
Furosemide,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	2883.3	Semi standard non polar	33892256
Furosemide,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	2961.3	Standard non polar	33892256
Furosemide,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	4196.6	Standard polar	33892256
Furosemide,2TMS,isomer #3	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	2995.9	Semi standard non polar	33892256
Furosemide,2TMS,isomer #3	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3044.7	Standard non polar	33892256
Furosemide,2TMS,isomer #3	C[Si](C)(C)N([Si](C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3875.9	Standard polar	33892256
Furosemide,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	2897.7	Semi standard non polar	33892256
Furosemide,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3004.1	Standard non polar	33892256
Furosemide,2TMS,isomer #4	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3660.1	Standard polar	33892256
Furosemide,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	2962.6	Semi standard non polar	33892256
Furosemide,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	3149.7	Standard non polar	33892256
Furosemide,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	3577.4	Standard polar	33892256
Furosemide,3TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	2845.2	Semi standard non polar	33892256
Furosemide,3TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3073.5	Standard non polar	33892256
Furosemide,3TMS,isomer #2	C[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C)C=C1Cl	3377.9	Standard polar	33892256
Furosemide,3TMS,isomer #3	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)O	2855.7	Semi standard non polar	33892256
Furosemide,3TMS,isomer #3	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)O	3186.6	Standard non polar	33892256
Furosemide,3TMS,isomer #3	C[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C(=O)O	3551.6	Standard polar	33892256
Furosemide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	2878.4	Semi standard non polar	33892256
Furosemide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	3252.0	Standard non polar	33892256
Furosemide,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C	3347.6	Standard polar	33892256
Furosemide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1NCC1=CC=CO1	3275.4	Semi standard non polar	33892256
Furosemide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3325.1	Semi standard non polar	33892256
Furosemide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(N)(=O)=O)C=C1C(=O)O	3170.5	Semi standard non polar	33892256
Furosemide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	3442.8	Semi standard non polar	33892256
Furosemide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	3487.0	Standard non polar	33892256
Furosemide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(NCC2=CC=CO2)C=C1Cl	3718.1	Standard polar	33892256
Furosemide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	3351.5	Semi standard non polar	33892256
Furosemide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	3434.1	Standard non polar	33892256
Furosemide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	4181.5	Standard polar	33892256
Furosemide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3476.3	Semi standard non polar	33892256
Furosemide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3537.1	Standard non polar	33892256
Furosemide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC(C(=O)O)=C(NCC2=CC=CO2)C=C1Cl	3837.4	Standard polar	33892256
Furosemide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3351.6	Semi standard non polar	33892256
Furosemide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3505.7	Standard non polar	33892256
Furosemide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3697.7	Standard polar	33892256
Furosemide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	3635.7	Semi standard non polar	33892256
Furosemide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	3869.9	Standard non polar	33892256
Furosemide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1NCC1=CC=CO1	3676.5	Standard polar	33892256
Furosemide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3491.6	Semi standard non polar	33892256
Furosemide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3829.1	Standard non polar	33892256
Furosemide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NS(=O)(=O)C1=CC(C(=O)O[Si](C)(C)C(C)(C)C)=C(N(CC2=CC=CO2)[Si](C)(C)C(C)(C)C)C=C1Cl	3567.0	Standard polar	33892256
Furosemide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)O	3558.2	Semi standard non polar	33892256
Furosemide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)O	3900.3	Standard non polar	33892256
Furosemide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CC1=CC=CO1)C1=CC(Cl)=C(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C(=O)O	3652.7	Standard polar	33892256
Furosemide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	3727.7	Semi standard non polar	33892256
Furosemide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	4193.2	Standard non polar	33892256
Furosemide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=CC(S(=O)(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)C=C1N(CC1=CC=CO1)[Si](C)(C)C(C)(C)C	3553.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Furosemide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0gxa-6293000000-f457e26eb77dd682fe06	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Furosemide GC-MS (1 TMS) - 70eV, Positive	splash10-0089-9005000000-e4a5fbc3253373e3940f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Furosemide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide Quattro_QQQ 10V, N/A-QTOF (Annotated)	splash10-03dr-0090000000-da505a3f09285d049f34	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide Quattro_QQQ 25V, N/A-QTOF (Annotated)	splash10-0f89-2190000000-53c91100e89c81f0fa30	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide Quattro_QQQ 40V, N/A-QTOF (Annotated)	splash10-01ox-9660000000-83d8486cbca0dd3487c9	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-000i-0090000000-f3a3dcb92cfcdff9f7dc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-0019000000-946089b12d2ab6fd05a4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-000i-0090000000-04af1dec204d462d4bc4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-0udi-1090000000-1af70d23e1a0ebaa0878	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9770000000-0c5cd578b5b69a1a61d4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9800000000-3303b20f9b23e24ae312	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9400000000-23cfec716ac8fbcb092f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-0019000000-e73aa1d969ab4255732b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-000i-0090000000-33053544119c01ac6b45	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-0udi-1090000000-7029ab63efa73a3ff88d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9670000000-4bad8928bbcfc85f431f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9800000000-2193e38e314f2b18be26	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-004i-9600000000-e703f7ab6221182df156	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-000i-0090000000-f3645e993869ff3886ba	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-000i-0090000000-18400153a811f7100a2f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Furosemide LC-ESI-ITFT , negative-QTOF	splash10-0f79-0090000000-7e491b92dab050fb81c0	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 10V, Positive-QTOF	splash10-001i-0029000000-8dad548395d661a23aeb	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 20V, Positive-QTOF	splash10-01q0-0095000000-9350244c3603284fb554	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 40V, Positive-QTOF	splash10-05o0-0290000000-6f3a7c51c8cbbf91e9a0	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 10V, Negative-QTOF	splash10-004r-1097000000-a65ddeb1624425b6a0b7	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 20V, Negative-QTOF	splash10-004r-4091000000-73474c5bbe697da9eb13	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Furosemide 40V, Negative-QTOF	splash10-004i-9010000000-611ee6d1e47c2cd8a7d8	2017-07-26	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Kidney

Pathways

Name	SMPDB/PathBank	KEGG
Furosemide Action Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Associated Disorders and Diseases

Disease References

Colorectal cancer
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

DB00695

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000956

KNApSAcK ID

Not Available

Chemspider ID

3322

KEGG Compound ID

C07017

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Furosemide

METLIN ID

2981

PubChem Compound

3440

PDB ID

Not Available

ChEBI ID

47426

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Wilson FH, Disse-Nicodeme S, Choate KA, Ishikawa K, Nelson-Williams C, Desitter I, Gunel M, Milford DV, Lipkin GW, Achard JM, Feely MP, Dussol B, Berland Y, Unwin RJ, Mayan H, Simon DB, Farfel Z, Jeunemaitre X, Lifton RP: Human hypertension caused by mutations in WNK kinases. Science. 2001 Aug 10;293(5532):1107-12. [PubMed:11498583 ]
Humke U, Siemer S, Uder M, Ziegler M: [Long-term outcome of conservative surgery for kidney cancer: survival, blood pressure, and renal function]. Ann Urol (Paris). 2002 Dec;36(6):349-53. [PubMed:12611132 ]
Schonfelder EM, Knuppel T, Tasic V, Miljkovic P, Konrad M, Wuhl E, Antignac C, Bakkaloglu A, Schaefer F, Weber S: Mutations in Uroplakin IIIA are a rare cause of renal hypodysplasia in humans. Am J Kidney Dis. 2006 Jun;47(6):1004-12. [PubMed:16731295 ]
Albqami N, Janetschek G: Laparoscopic partial nephrectomy. Curr Opin Urol. 2005 Sep;15(5):306-11. [PubMed:16093853 ]
Reyes L, Manalich R: Long-term consequences of low birth weight. Kidney Int Suppl. 2005 Aug;(97):S107-11. [PubMed:16014086 ]
Delakas D, Karyotis I, Daskalopoulos G, Terhorst B, Lymberopoulos S, Cranidis A: Nephron-sparing surgery for localized renal cell carcinoma with a normal contralateral kidney: a European three-center experience. Urology. 2002 Dec;60(6):998-1002. [PubMed:12475657 ]
Moog R, Becmeur F, Dutson E, Chevalier-Kauffmann I, Sauvage P, Brunot B: Functional evaluation by quantitative dimercaptosuccinic Acid scintigraphy after kidney trauma in children. J Urol. 2003 Feb;169(2):641-4. [PubMed:12544333 ]
Korpi ER, Kuner T, Seeburg PH, Luddens H: Selective antagonist for the cerebellar granule cell-specific gamma-aminobutyric acid type A receptor. Mol Pharmacol. 1995 Feb;47(2):283-9. [PubMed:7870036 ]
Tia S, Wang JF, Kotchabhakdi N, Vicini S: Developmental changes of inhibitory synaptic currents in cerebellar granule neurons: role of GABA(A) receptor alpha 6 subunit. J Neurosci. 1996 Jun 1;16(11):3630-40. [PubMed:8642407 ]
Wafford KA, Thompson SA, Thomas D, Sikela J, Wilcox AS, Whiting PJ: Functional characterization of human gamma-aminobutyric acidA receptors containing the alpha 4 subunit. Mol Pharmacol. 1996 Sep;50(3):670-8. [PubMed:8794909 ]
Rais-Bahrami K, Majd M, Veszelovszky E, Short BL: Use of furosemide and hearing loss in neonatal intensive care survivors. Am J Perinatol. 2004 Aug;21(6):329-32. [PubMed:15311369 ]

Enzymes

Enzyme Details

1. 6-phosphogluconate dehydrogenase, decarboxylating

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the oxidative decarboxylation of 6-phosphogluconate to ribulose 5-phosphate and CO(2), with concomitant reduction of NADP to NADPH (By similarity).
Gene Name:: PGD
Uniprot ID:: P52209
Molecular weight:: 53139.56

References

Akkemik E, Budak H, Ciftci M: Effects of some drugs on human erythrocyte 6-phosphogluconate dehydrogenase: an in vitro study. J Enzyme Inhib Med Chem. 2010 Aug;25(4):476-9. doi: 10.3109/14756360903257900. [PubMed:20235752 ]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Enzyme Details

2. Sodium/potassium-transporting ATPase subunit alpha-1

General function:: Involved in ATP binding
Specific function:: This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.
Gene Name:: ATP1A1
Uniprot ID:: P05023
Molecular weight:: 112895.01

Enzyme Details

3. Carbonic anhydrase 2

General function:: Involved in carbonate dehydratase activity
Specific function:: Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.
Gene Name:: CA2
Uniprot ID:: P00918
Molecular weight:: 29245.895

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Transporters

Enzyme Details

1. Solute carrier family 22 member 5

General function:: Involved in ion transmembrane transporter activity
Specific function:: Sodium-ion dependent, high affinity carnitine transporter. Involved in the active cellular uptake of carnitine. Transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Also relative uptake activity ratio of carnitine to TEA is 11.3
Gene Name:: SLC22A5
Uniprot ID:: O76082
Molecular weight:: 62751.1

References

Ohashi R, Tamai I, Yabuuchi H, Nezu JI, Oku A, Sai Y, Shimane M, Tsuji A: Na(+)-dependent carnitine transport by organic cation transporter (OCTN2): its pharmacological and toxicological relevance. J Pharmacol Exp Ther. 1999 Nov;291(2):778-84. [PubMed:10525100 ]

Enzyme Details

2. Canalicular multispecific organic anion transporter 1

General function:: Involved in ATP binding
Specific function:: Mediates hepatobiliary excretion of numerous organic anions. May function as a cellular cisplatin transporter
Gene Name:: ABCC2
Uniprot ID:: Q92887
Molecular weight:: 174205.6

References

Bakos E, Evers R, Sinko E, Varadi A, Borst P, Sarkadi B: Interactions of the human multidrug resistance proteins MRP1 and MRP2 with organic anions. Mol Pharmacol. 2000 Apr;57(4):760-8. [PubMed:10727523 ]

Enzyme Details

3. Solute carrier family 22 member 11

General function:: Involved in transporter activity
Specific function:: Mediates saturable uptake of estrone sulfate, dehydroepiandrosterone sulfate and related compounds
Gene Name:: SLC22A11
Uniprot ID:: Q9NSA0
Molecular weight:: 59970.9

References

Cha SH, Sekine T, Kusuhara H, Yu E, Kim JY, Kim DK, Sugiyama Y, Kanai Y, Endou H: Molecular cloning and characterization of multispecific organic anion transporter 4 expressed in the placenta. J Biol Chem. 2000 Feb 11;275(6):4507-12. [PubMed:10660625 ]

Enzyme Details

4. Solute carrier family 12 member 5

General function:: Involved in transport
Specific function:: Mediates electroneutral potassium-chloride cotransport in mature neurons. Transport occurs under isotonic conditions, but is activated 20-fold by cell swelling. Important for Cl(-) homeostasis in neurons
Gene Name:: SLC12A5
Uniprot ID:: Q9H2X9
Molecular weight:: 126182.5

Enzyme Details

5. Solute carrier family 12 member 1

General function:: Involved in transport
Specific function:: Electrically silent transporter system. Mediates sodium and chloride reabsorption. Plays a vital role in the regulation of ionic balance and cell volume
Gene Name:: SLC12A1
Uniprot ID:: Q13621
Molecular weight:: 121449.1

References

Brater DC: Pharmacology of diuretics. Am J Med Sci. 2000 Jan;319(1):38-50. [PubMed:10653443 ]
Davies DL, Wilson GM: Diuretics: mechanism of action and clinical application. Drugs. 1975;9(3):178-226. [PubMed:1092541 ]
Vormfelde SV, Sehrt D, Toliat MR, Schirmer M, Meineke I, Tzvetkov M, Nurnberg P, Brockmoller J: Genetic variation in the renal sodium transporters NKCC2, NCC, and ENaC in relation to the effects of loop diuretic drugs. Clin Pharmacol Ther. 2007 Sep;82(3):300-9. Epub 2007 Apr 25. [PubMed:17460608 ]
Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

Enzyme Details

6. Solute carrier organic anion transporter family member 2A1

General function:: Not Available
Specific function:: May mediate the release of newly synthesized prostaglandins from cells, the transepithelial transport of prostaglandins, and the clearance of prostaglandins from the circulation. Transports PGD2, as well as PGE1, PGE2 and PGF2A
Gene Name:: SLCO2A1
Uniprot ID:: Q92959
Molecular weight:: 70117.0

References

Kanai N, Lu R, Satriano JA, Bao Y, Wolkoff AW, Schuster VL: Identification and characterization of a prostaglandin transporter. Science. 1995 May 12;268(5212):866-9. [PubMed:7754369 ]

Enzyme Details

7. Solute carrier family 22 member 6

General function:: Involved in ion transmembrane transporter activity
Specific function:: Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one molecule of endogenous dicarboxylic acid (glutarate, ketoglutarate, etc). Mediates the sodium-independent uptake of 2,3-dimercapto-1-propanesulfonic acid (DMPS). Mediates the sodium-independent uptake of p- aminohippurate (PAH), ochratoxin (OTA), acyclovir (ACV), 3'-azido- 3-'deoxythymidine (AZT), cimetidine (CMD), 2,4-dichloro- phenoxyacetate (2,4-D), hippurate (HA), indoleacetate (IA), indoxyl sulfate (IS) and 3-carboxy-4-methyl-5-propyl-2- furanpropionate (CMPF), cidofovir, adefovir, 9-(2- phosphonylmethoxyethyl) guanine (PMEG), 9-(2- phosphonylmethoxyethyl) diaminopurine (PMEDAP) and edaravone sulfate. PAH uptake is inhibited by p- chloromercuribenzenesulphonate (PCMBS), diethyl pyrocarbonate (DEPC), sulindac, diclofenac, carprofen, glutarate and okadaic acid. PAH uptake is inhibited by benzothiazolylcysteine (BTC), S-chlorotrifluoroethylcysteine (CTFC), cysteine S-conjugates S-dichlorovinylcysteine (DCVC), furosemide, steviol, phorbol 12-myristate 13-acetate (PMA), calcium ionophore A23187, benzylpenicillin, furosemide, indomethacin, bumetamide, losartan, probenecid, phenol red, urate, and alpha-ketoglutarate
Gene Name:: SLC22A6
Uniprot ID:: Q4U2R8
Molecular weight:: 61815.8

References

Kim GH, Na KY, Kim SY, Joo KW, Oh YK, Chae SW, Endou H, Han JS: Up-regulation of organic anion transporter 1 protein is induced by chronic furosemide or hydrochlorothiazide infusion in rat kidney. Nephrol Dial Transplant. 2003 Aug;18(8):1505-11. [PubMed:12897087 ]
Hosoyamada M, Sekine T, Kanai Y, Endou H: Molecular cloning and functional expression of a multispecific organic anion transporter from human kidney. Am J Physiol. 1999 Jan;276(1 Pt 2):F122-8. [PubMed:9887087 ]
Lu R, Chan BS, Schuster VL: Cloning of the human kidney PAH transporter: narrow substrate specificity and regulation by protein kinase C. Am J Physiol. 1999 Feb;276(2 Pt 2):F295-303. [PubMed:9950961 ]
Uwai Y, Saito H, Hashimoto Y, Inui KI: Interaction and transport of thiazide diuretics, loop diuretics, and acetazolamide via rat renal organic anion transporter rOAT1. J Pharmacol Exp Ther. 2000 Oct;295(1):261-5. [PubMed:10991988 ]

Showing metabocard for Furosemide (HMDB0001933)

MOL for HMDB0001933 (Furosemide)

3D MOL for HMDB0001933 (Furosemide)

3D SDF for HMDB0001933 (Furosemide)

3D-SDF for HMDB0001933 (Furosemide)

PDB for HMDB0001933 (Furosemide)

3D PDB for HMDB0001933 (Furosemide)

SMILES for HMDB0001933 (Furosemide)

INCHI for HMDB0001933 (Furosemide)

Structure for HMDB0001933 (Furosemide)

3D Structure for HMDB0001933 (Furosemide)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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Transporters

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