cilnidipine   

GtoPdb Ligand ID: 7767

Synonyms: FRC-8653
cilnidipine is an approved drug
Compound class: Synthetic organic
Comment: Cilnidipine is a calcium channel blocking antihypertensive drug.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 117
Molecular weight 492.19
XLogP 5.43
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OCC=Cc1ccccc1)C
Isomeric SMILES COCCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C
InChI InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+
InChI Key KJEBULYHNRNJTE-DHZHZOJOSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
O3-(2-methoxyethyl) O5-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
International Nonproprietary Names
INN number INN
6880 cilnidipine
Synonyms
FRC-8653
Database Links
CAS Registry No. 132203-70-4 (source: Scifinder)
ChEMBL Ligand CHEMBL452076
DrugCentral Ligand 642
GtoPdb PubChem SID 223366100
PubChem CID 5282138
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Wikipedia Cilnidipine