bepridil   Click here for help

GtoPdb Ligand ID: 2337

Synonyms: CERM-1978 | Vascor®
Approved drug
bepridil is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: The drug bepridil is a racemic mixture of two enantiomers for the 2R as CID 16048570 and 2S as CID 445143. The structure shown here represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 15.71
Molecular weight 366.27
XLogP 5.22
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
Isomeric SMILES CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
InChI InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
InChI Key UIEATEWHFDRYRU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(phenylmethyl)aniline
International Nonproprietary Names Click here for help
INN number INN
3465 bepridil
Synonyms Click here for help
CERM-1978 | Vascor®
Database Links Click here for help
BindingDB Ligand 50017667
CAS Registry No. 64706-54-3
ChEBI CHEBI:3061
ChEMBL Ligand CHEMBL1008
DrugBank Ligand DB01244
DrugCentral Ligand 342
GtoPdb PubChem SID 135649982
PubChem CID 2351
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UniChem Compound Search for chemical match using the InChIKey UIEATEWHFDRYRU-UHFFFAOYSA-N
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Wikipedia Bepridil