benidipine   Click here for help

GtoPdb Ligand ID: 10159

Synonyms: Coniel®
Approved drug
benidipine is an approved drug
Compound class: Synthetic organic
Comment: Benidipine is a dihydropyridine class, triple L-, T-, and N-type calcium channel blocker. The approved drug is a mixture of enantiomers and is administered as the hydrochloride salt. We show the chemical structure without specified stereochemistry to represent the mixture. The consensus PubChem compound for benidipine is CID 656668.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 111.01
Molecular weight 505.22
XLogP 5.41
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC1CCCN(C1)Cc1ccccc1)C
InChI InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3
InChI Key QZVNQOLPLYWLHQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
International Nonproprietary Names Click here for help
INN number INN
6137 benidipine
Synonyms Click here for help
Coniel®
Database Links Click here for help
CAS Registry No. 105979-17-7 (source: WHO INN record)
GtoPdb PubChem SID 381118869
PubChem CID 2324
Search Google for chemical match using the InChIKey QZVNQOLPLYWLHQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QZVNQOLPLYWLHQ
Search PubMed clinical trials benidipine
Search PubMed titles benidipine
Search PubMed titles/abstracts benidipine
Search UniChem for chemical match using the InChIKey QZVNQOLPLYWLHQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QZVNQOLPLYWLHQ