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Chemical structure of Ethacrynate Sodium

GC25386

Ethacrynate Sodium

Also known as sodium 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetate

Ethacrynate Sodium (ethacrynic acid sodium) is the sodium salt form of ethacrynic acid, which inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules

ChemicalCAS6500-81-8MW325.12FormulaC13H11Cl2NaO4
CAS number
6500-81-8
Molecular weight
325.12
Formula
C13H11Cl2NaO4
Solubility
DMSO： 65 mg/mL (199·93 mM);Water： 65 mg/mL (199·93 mM);Ethanol： 10 mg/mL (30·76 mM)
InChIKey
CWCSCNSKBSCYCS-UHFFFAOYSA-M
Catalogue number
GC25386
Brand
GLPBIO
Computed properties PubChem CID 23668825 · TPSA 66.4 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
66.4 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

SMILES CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)[O-])Cl)Cl.[Na+]

Computed descriptors from PubChem (CID 23668825), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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