nitrendipine

Ligand id: 2334

Name: nitrendipine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 107.77
Molecular weight 360.13
XLogP 4.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
O3-ethyl O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
4739 nitrendipine
Database Links
BindingDB Ligand 50012016
CAS Registry No. 39562-70-4 (source: Scifinder)
ChEBI CHEBI:553570
ChEMBL Ligand CHEMBL475534
DrugBank Ligand DB01054
PubChem CID 4507
Search Google for chemical match using the InChIKey PVHUJELLJLJGLN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PVHUJELLJLJGLN
Search PubMed clinical trials nitrendipine
Search PubMed titles nitrendipine
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Search UniChem for chemical match using the InChIKey PVHUJELLJLJGLN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PVHUJELLJLJGLN
Wikipedia Nitrendipine
Comments
The approved drug nitrendipine is a racemic mixture of two enantiomers; (R)-nitrendipine and (S)-nitrendipine. The structure shown here does not specify stereochemistry and represents the mixture.