Ethacrynate sodiumProduct ingredient for Etacrynic acid

Name
Ethacrynate sodium
Drug Entry
Etacrynic acid

A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.

Accession Number
DBSALT001225
Structure
Synonyms
Sodium ethacrynate
UNII
K41MYV7MPM
CAS Number
6500-81-8
Weight
Average: 325.12
Monoisotopic: 323.9932085
Chemical Formula
C13H11Cl2NaO4
InChI Key
CWCSCNSKBSCYCS-UHFFFAOYSA-M
InChI
InChI=1S/C13H12Cl2O4.Na/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);/q;+1/p-1
IUPAC Name
sodium 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate
SMILES
[Na+].CCC(=C)C(=O)C1=CC=C(OCC([O-])=O)C(Cl)=C1Cl
ChemSpider
21528
ChEMBL
CHEMBL1200487
Wikipedia
Etacrynic_acid
Predicted Properties
PropertyValueSource
Water Solubility0.0105 mg/mLALOGPS
logP3.54ALOGPS
logP3.66Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)2.8Chemaxon
pKa (Strongest Basic)-5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area66.43 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity83.06 m3·mol-1Chemaxon
Polarizability27.98 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon