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
- External Links
- ChemSpider
- 21528
- ChEMBL
- CHEMBL1200487
- Wikipedia
- Etacrynic_acid
- Predicted Properties
Property Value Source Water Solubility 0.0105 mg/mL ALOGPS logP 3.54 ALOGPS logP 3.66 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 2.8 Chemaxon pKa (Strongest Basic) -5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.43 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 83.06 m3·mol-1 Chemaxon Polarizability 27.98 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon