dronedarone   Click here for help

GtoPdb Ligand ID: 7465

Synonyms: Multaq® | SR-33598B
Approved drug
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
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2009))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7382 dronedarone
Synonyms Click here for help
Multaq® | SR-33598B
Database Links Click here for help
CAS Registry No. 41626-36-0
ChEMBL Ligand CHEMBL184412
DrugBank Ligand DB04855
DrugCentral Ligand 4112
GtoPdb PubChem SID 187051768
PubChem CID 208898
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UniChem Compound Search for chemical match using the InChIKey ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
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Wikipedia Dronedarone