KEGG   DRUG: Ethacrynic acidHelp
Entry
D00313                      Drug                                   

Name
Ethacrynic acid (USP);
Etacrynic acid (JP17/INN)
Product
  Generic
Formula
C13H12Cl2O4
Exact mass
302.0113
Mol weight
303.138
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: C03CC01
Chemical structure group: DG00274
Product (DG00274): D00313<US> D04079<US>
Efficacy
Diuretic, Na-K-Cl cotransporter inhibitor
  Disease
Nephrotic syndrome [DS:H01657]
Comment
Loop diuretic
Aryloxyacetic acid derivative
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
Interaction
Drug interaction
Structure map
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03C HIGH-CEILING DIURETICS
    C03CC Aryloxyacetic acid derivatives
     C03CC01 Etacrynic acid
      D00313  Ethacrynic acid (USP) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Loop
   Ethacrynate/Ethacrynic Acid
    D00313  Ethacrynic acid (USP)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D00313  Ethacrynic acid (USP) <US>
    SLC12A2 (NKCC1)
     D00313  Ethacrynic acid (USP) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00313  Etacrynic acid
  D00313  Etacrynic acid tablets
BRITE hierarchy
Other DBs
CAS: 58-54-8
PubChem: 7847379
ChEBI: 4876
ChEMBL: CHEMBL456
DrugBank: DB00903
PDB-CCD: EAA[PDBj]
LigandBox: D00313
NIKKAJI: J4.399K
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    23.0457  -16.2816
            2   C8y C    21.8340  -15.5825
            3   C5a C    24.2632  -15.5825
            4   C8x C    23.0457  -17.6796
            5   C8y C    20.6166  -16.2816
            6   X   Cl   21.8399  -14.1845
            7   C2c C    25.4747  -16.2816
            8   O5a O    24.2632  -14.1845
            9   C8x C    21.8340  -18.3844
            10  C8y C    20.6166  -17.6796
            11  X   Cl   19.4050  -15.5825
            12  C1b C    26.6805  -15.5885
            13  C2a C    25.4747  -17.6853
            14  O2a O    19.4050  -18.3844
            15  C1a C    27.8921  -16.2875
            16  C1b C    18.1935  -17.6853
            17  C6a C    16.9877  -18.3903
            18  O6a O    15.7702  -17.6853
            19  O6a O    16.9877  -19.7883
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    7  12 1
            12    7  13 2
            13   10  14 1
            14   12  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 2
            19    9  10 1

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