HIT ID: HIT211998960
Cas No: 91599-74-5
分子式: C28H32ClN3O6
分子量: 542.03
常用名: Benidipine hydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 4.0241766
IUPAC: 3-(3R)-1-benzylpiperidin-3-yl 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC: 3-(3R)-1-benzylpiperidin-3-yl 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SMILES: Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 |c:4,9|
SMILES: Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 |c:4,9|
InChI key: KILKDKRQBYMKQX-MIPPOABVSA-N
