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Chemical structure of Ethacrynic Acid

GC14041

Ethacrynic Acid

Also known as 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid

Na+/K+/2Cl- cotransporter NKCC2 inhibitor

ChemicalCAS58-54-8MW303.14FormulaC13H12Cl2O4
CAS number
58-54-8
Molecular weight
303.14
Formula
C13H12Cl2O4
Solubility
30mg/mL in DMF; 30mg/mL in DMSO; 30mg/mL in ethanol
InChIKey
AVOLMBLBETYQHX-UHFFFAOYSA-N
Catalogue number
GC14041
Brand
GLPBIO
Computed properties PubChem CID 3278 · XLogP 3.8 · TPSA 63.6 Ų · H-bond donors 1
XLogP
3.8
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

SMILES CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl

Computed descriptors from PubChem (CID 3278), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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