ethacrynic acid

Ligand id: 7179

Name: ethacrynic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 63.6
Molecular weight 302.01
XLogP 2.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1967))
IUPAC Name
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
International Nonproprietary Names
INN number INN
1651 etacrynic acid
Synonyms
Edecrin® | MK-595
Database Links
CAS Registry No. 58-54-8
ChEBI CHEBI:4876
ChEMBL Ligand CHEMBL456
DrugBank Ligand DB00903
PubChem CID 3278
RCSB PDB Ligand EAA
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Search UniChem for chemical match using the InChIKey AVOLMBLBETYQHX-UHFFFAOYSA-N
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Wikipedia Ethacrynic acid
Comments
Ethacrynic acid is a loop diuretic.