ibutilide   

GtoPdb Ligand ID: 7200

Synonyms: Corvert® | U-70226E
ibutilide is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Ibutilide is an antiarrhythmic drug.
Marketed formulations may contain ibutilide fumarate (PubChem CID 6437366).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 78.02
Molecular weight 384.24
XLogP 4.6
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC
Isomeric SMILES CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC
InChI InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3
InChI Key ALOBUEHUHMBRLE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name
N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide
International Nonproprietary Names
INN number INN
6642 ibutilide
Synonyms
Corvert® | U-70226E
Database Links
CAS Registry No. 122647-31-8
ChEMBL Ligand CHEMBL533
DrugBank Ligand DB00308
DrugCentral Ligand 1412
GtoPdb PubChem SID 178103775
PubChem CID 60753
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Wikipedia Ibutilide