1.0 2016-05-22 03:54:48 UTC 2026-08-18 22:52:02 UTC Ethacrynic acid SmallMolecule Ethacrynic acid (C13H12Cl2O4) is a compound with an average molecular weight of 303.14 g/mol. Ethacrynic acid belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It functions as a biological inhibitor (PMC5350610). Its recorded protein targets include the Sodium/potassium-transporting ATPase subunit alpha-1 (ATP1A1), Lymphoid enhancer-binding factor 1 (LEF1), Glutathione S-transferase P (GSTP1), and the Solute carrier family 12 member 1 (SLC12A1), which it inhibits. The compound is found in or released from 13 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, where it is used as a diuretic. It is also associated with household cleaning and consumer products, such as soap detergents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Additionally, it is linked to electrical and electronic equipment, including antennas, conductors or conductive bodies characterised by the conductive materials, electrodes, electric hearing aids, and electrically stimulated smoking devices. Recorded exposure routes for ethacrynic acid include oral and intravenous administration. C13H12Cl2O4 303.138 302.011264286 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid ethacrynic acid 58-54-8 CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1 InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) AVOLMBLBETYQHX-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenoxyacetic acid derivatives Chlorophenoxyacetates Acryloyl compounds Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Aryl ketones Benzoyl derivatives Butyrophenones Carboxylic acids Dichlorobenzenes Enones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organochlorides Phenol ethers Phenoxy compounds Vinylogous halides 1,2-dichlorobenzene Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Aromatic homomonocyclic compound Aryl chloride Aryl halide Aryl ketone Benzoyl Butyrophenone Carbonyl group Carboxylic acid Carboxylic acid derivative Chlorobenzene Chlorophenoxyacetate Enone Ether Halobenzene Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organooxygen compound Phenol ether Phenoxy compound Vinylogous halide Aromatic homomonocyclic compounds aromatic ether aromatic ketone dichlorobenzene monocarboxylic acid Detected and Not Quantified Ethacrynic Acid Action Pathway SMP0000097 Ethacrynic Acid Diuretic Action Pathway SMP0124515 Ethacrynic acid Drug Metabolism Pathway SMP0145339 logp 3.66 logp 3.42 ALOGPS logs -4.19 ALOGPS solubility 1.94e-02 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_acidic 2.8 ChemAxon pka_strongest_basic -5 ChemAxon iupac 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid ChemAxon average_mass 303.138 ChemAxon mono_mass 302.011264286 ChemAxon smiles CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1 ChemAxon formula C13H12Cl2O4 ChemAxon inchi InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) ChemAxon inchikey AVOLMBLBETYQHX-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 72.22 ChemAxon polarizability 28.57 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f881920> DB00903 3278 3163 BE0000502 BE0000732 BE0009011 BE0000814