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Chemical structure of Benidipine HCl

GC13888

Benidipine HCl

Also known as 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride

Benidipine HCl is a dihydropyridine calcium channel blocker for the treatment of high blood pressure (hypertension)

ChemicalCAS91599-74-5MW542.02FormulaC28H31N3O6·HCl
CAS number
91599-74-5
Molecular weight
542.02
Formula
C28H31N3O6·HCl
Solubility
≥ 21·8mg/mL in DMSO with gentle warming
InChIKey
KILKDKRQBYMKQX-MIPPOABVSA-N
Catalogue number
GC13888
Brand
GLPBIO
Computed properties PubChem CID 656667 · TPSA 114 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
114 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38

SMILES CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl

Computed descriptors from PubChem (CID 656667), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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