Cilnidipine
3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Identity
Cilnidipine
3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID: 5282138
Cilnidipine is a diesterified 1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium channel blocker, it is used as an antihypertensive. It has a role as a cardiovascular drug, an antihypertensive agent and a calcium channel blocker. It is a 2-methoxyethyl ester, a C-nitro compound and a dihydropyridine.
2D Structure
Properties
C27H28N2O7
Molecular Formula
492.50
Molecular Weight
g/mol
492.1897
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
896
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOCIsomeric SMILES
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOCSynonyms(20)
cilnidipine132203-70-4AtelecCinalongSiscardFRC-8653DTXSID0046309cilnidipino97T5AZ1JIPCHEBI:313992-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateDTXCID8026309O3-(2-methoxyethyl) O5-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylatecilnidipinumRefChem:5688
Data from PubChem (NCBI)
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