nicardipine   Click here for help

GtoPdb Ligand ID: 2559

Synonyms: (R,S)-nicardipine | Cardene®
Approved drug
nicardipine is an approved drug (FDA (1988))
Compound class: Synthetic organic
Comment: One of the dihydropyridine class of drugs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 111.01
Molecular weight 479.21
XLogP 4.87
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN(Cc1ccccc1)C)C
InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
InChI Key ZBBHBTPTTSWHBA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1988))
IUPAC Name Click here for help
O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names Click here for help
INN number INN
4745 nicardipine
Synonyms Click here for help
(R,S)-nicardipine | Cardene®
Database Links Click here for help
BindingDB Ligand 50017085
CAS Registry No. 55985-32-5 (source: Scifinder)
ChEBI CHEBI:507549
ChEMBL Ligand CHEMBL1484
DrugBank Ligand DB00622
DrugCentral Ligand 1909
GtoPdb PubChem SID 135650714
PubChem CID 4474
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Wikipedia Nicardipine