KEGG   DRUG: Ethacrynate sodium
Entry
D04079                      Drug                                   

Name
Ethacrynate sodium (USP)
Product
  Generic
Formula
C13H11Cl2O4. Na
Exact mass
323.9932
Mol weight
325.1198
Structure
Simcomp
Class
Cardiovascular agent
 DG01748  Loop diuretic
Remark
ATC code: C03CC01
Chemical structure group: DG00274
Product (DG00274): D00313<US> D04079<US>
Efficacy
Diuretic, Na-K-Cl cotransporter inhibitor
Comment
Loop diuretic
Aryloxyacetic acid derivative
Component of Edecrin (TN)
Target
SLC12A1 (NKCC2) [HSA:6557] [KO:K14425]
SLC12A2 (NKCC1) [HSA:6558] [KO:K10951]
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
      D04079  Ethacrynate sodium (USP) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Diuretics, Loop
   Ethacrynate
    D04079  Ethacrynate sodium (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01748  Loop diuretic
   DG00274  Etacrynic acid
    D04079  Ethacrynate sodium
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC12
    SLC12A1 (NKCC2)
     D04079  Ethacrynate sodium (USP) <US>
    SLC12A2 (NKCC1)
     D04079  Ethacrynate sodium (USP) <US>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01748  Loop diuretic
   DG00274  Etacrynic acid
Other DBs
CAS: 6500-81-8
PubChem: 47206035
ChEMBL: CHEMBL1200487
LigandBox: D04079
NIKKAJI: J8.417D
LinkDB
KCF data

ATOM        20
            1   C8y C    33.3355  -14.6714
            2   C8y C    32.1238  -13.9723
            3   C5a C    34.5530  -13.9723
            4   C8x C    33.3355  -16.0694
            5   C8y C    30.9064  -14.6714
            6   X   Cl   32.1297  -12.5743
            7   C2c C    35.7645  -14.6714
            8   O5a O    34.5530  -12.5743
            9   C8x C    32.1238  -16.7742
            10  C8y C    30.9064  -16.0694
            11  X   Cl   29.6948  -13.9723
            12  C1b C    36.9703  -13.9783
            13  C2a C    35.7645  -16.0751
            14  O2a O    29.6948  -16.7742
            15  C1a C    38.1819  -14.6773
            16  C1b C    28.4833  -16.0751
            17  C6a C    27.2775  -16.7801
            18  O6a O    26.0600  -16.0751 #-
            19  O6a O    27.2775  -18.1781
            20  Z   Na   24.0799  -16.0299 #+
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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