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Chemical structure of Cilnidipine

GC12312

Cilnidipine

Also known as 3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Blocker of Dual L- and N-type calcium channel

ChemicalCAS132203-70-4MW492.52FormulaC27H28N2O7
CAS number
132203-70-4
Molecular weight
492.52
Formula
C27H28N2O7
Solubility
≥ 24·6mg/mL in DMSO
InChIKey
KJEBULYHNRNJTE-DHZHZOJOSA-N
Catalogue number
GC12312
Brand
GLPBIO
Computed properties PubChem CID 5282138 · XLogP 4.4 · TPSA 120 Ų · H-bond donors 1
XLogP
4.4
TPSA
120 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
36

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)OCCOC

Computed descriptors from PubChem (CID 5282138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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