Compound: Benidipine
SMILES: O=[N+]([O-])c1cc(ccc1)[C@H]2C(=C(NC(=C2C(=O)OC)C)C)C(=O)O[C@H]3CN(CCC3)Cc4ccccc4
InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
Synonyms: Benidipine, 105979-17-7, Benidipinum, Benidipino, 4G9T91JS7E, RefChem:561249, C08CA15, 3-(3R)-1-benzylpiperidin-3-yl 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Benidipene, Benidipine [INN], 119065-60-0, 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Benidipine (INN), rac-3-(3R)-1-benzylpiperidin-3-yl 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Benidipinum [Latin], Benidipino [Spanish], (-)-Alpha Benidipine, NCGC00185768-01, UNII-4G9T91JS7E, DTXSID0022648, BENIDIPINE [MI], Alpha benidipine, (-)-, K2TQS8L6NJ, BENIDIPINE [WHO-DD], SCHEMBL24516, orb1686591, CHEMBL2105555, CHEMBL3303980, SCHEMBL29564514, HY-B1448A, EX-A14910, AKOS015895389, DB09231, MRF-0000234, NCGC00185768-03, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester, (4R)-, PD156024, Benidipine Impurity 5 ((R,R)-Benidipine), CS-0111103, NS00073186, D07509, H62590, AB01209735-01, AB01566847_01, EN300-27161348, BRD-K97181463-003-01-1, BRD-K97181463-003-02-9, Q11336997, (+-)-(R*)-3-((R*)-1-Benzyl-3-piperidyl) methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, (+/-)-(R*)-3-((R*)-1-BENZYL-3-PIPERIDYL) METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE, (+/-)-2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID-3-(1-BENZYL-3-PIPERIDYL) ESTER-5-METHYL ESTER, (3r)-1-benzyl-3-piperidinyl methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridine dicarboxylate, (3R)-1-Benzylpiperidin-3-yl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, (4R)-REL-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID METHYL (3R)-1-(PHENYLMETHYL)-3-PIPERIDINYL ESTER, (R)-3-((R)-1-benzylpiperidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, (R)-rel-3-((R)-1-Benzylpiperidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, [R-(R*,R*)]-, 3-((R)-1-benzylpiperidin-3-yl) 5-methyl (R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-Methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] (4R)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, methyl (3R)-1-(phenylmethyl)piperidin-3-yl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Theoretical properties:
molecular_formula: C28H31N3O6
molecular_weight: 505.6 g/mol
exact_mass: 505.22128572 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 8
heavy_atom_count: 37
topological_polar_surface_area: 114 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: >193ºC
solubility: <1 mg/ml
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benidipine  is a dihydropyridine calcium channel blocker for the treatment of high blood pressure (hypertension). It is a triple L-, T-, and N-type calcium channel blocker. It is reno- and cardioprotective.
It was patented in 1981 and approved for medical use in 1991.