amiodarone

Ligand id: 2566

Name: amiodarone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 42.68
Molecular weight 645.02
XLogP 7.78
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1985))
IUPAC Name
(2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3,5-diiodophenyl]methanone
International Nonproprietary Names
INN number INN
2012 amiodarone
Synonyms
amiodarone hydrochloride | Cordarone®
Database Links
BindingDB Ligand 18957
CAS Registry No. 1951-25-3
ChEBI CHEBI:2663
ChEMBL Ligand CHEMBL633
DrugBank Ligand DB01118
PubChem CID 2157
RCSB PDB Ligand BBI
Search Google for chemical match using the InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IYIKLHRQXLHMJQ
Search PubMed clinical trials amiodarone
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Search UniChem for chemical match using the InChIKey IYIKLHRQXLHMJQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IYIKLHRQXLHMJQ
Wikipedia Amiodarone
Comments
Amiodarone is a class III antiarrhythmic drug and acts as a positive inotropic agent. The prescription drug contains amiodarone hydrochloride (PubChem CID 441325).