dronedarone   

GtoPdb Ligand ID: 7465

Synonyms: Multaq® | SR-33598B
dronedarone is an approved drug (FDA and EMA (2009))
Compound class: Synthetic organic
Comment: Dronedarone is a class III antiarrhythmic drug. It is a noniodinated analogue of amiodarone. The marketed formulation contains the hydrochloride salt (PubChem CID 219025).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 97.23
Molecular weight 556.3
XLogP 7.23
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C
Isomeric SMILES CCCCc1oc2c(c1C(=O)c1ccc(cc1)OCCCN(CCCC)CCCC)cc(cc2)NS(=O)(=O)C
InChI InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3
InChI Key ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2009))
IUPAC Name
N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
International Nonproprietary Names
INN number INN
7382 dronedarone
Synonyms
Multaq® | SR-33598B
Database Links
CAS Registry No. 41626-36-0
ChEBI CHEBI:50659
ChEMBL Ligand CHEMBL184412
DrugBank Ligand DB04855
DrugCentral Ligand 4112
GtoPdb PubChem SID 187051768
PubChem CID 208898
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Wikipedia Dronedarone