HIT ID: HIT212713406
Cas No: 113145-70-3
分子式: C36H40ClN3O6
分子量: 646.18
常用名: R-(-)-Niguldipine hydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.5991387
IUPAC: 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC: 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 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)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
SMILES: Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
InChI key: MHOSUIMBPQVOEU-MGDILKBHSA-N
