Molecular Identity
Ethacrynic Acid
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
PubChem CID: 3278
Etacrynic acid is an aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. It has a role as an ion transport inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor and a loop diuretic. It is a dichlorobenzene, a monocarboxylic acid, an aromatic ether and an aromatic ketone. It is functionally related to an acetic acid.
2D Structure
Properties
C13H12Cl2O4
Molecular Formula
303.13
Molecular Weight
g/mol
302.0113
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
370
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)ClIsomeric SMILES
SMILES: CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)ClSynonyms(20)
ETHACRYNIC ACID58-54-8Etacrynic AcidEtacrinic acidHydromedinTaladrenHidromedinCrinurylEdecrilEdecrinaEndecrilOtacrilMingitReomaxUregit
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ethacrynic Acid
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