S(+)-Niguldipine Hydrochloride
[CAS# 113165-32-5]

Identification

• Name: S(+)-Niguldipine Hydrochloride
• Synonyms: O3-[3-[4,4-Di(Phenyl)-1-Piperidyl]Propyl] O5-Methyl (4S)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate; (4S)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[3-[4,4-Di(Phenyl)-1-Piperidinyl]Propyl] O5-Methyl Ester; (4S)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[3-[4,4-Di(Phenyl)-1-Piperidyl]Propyl] O5-Methyl Ester
• Molecular Formula: C₃₆H₃₉N₃O₆
• Molecular Weight: 609.72
• CAS Registry Number: 113165-32-5
• SMILES: [C@H]1(C(=C(NC(=C1C(OC)=O)C)C)C(OCCCN4CCC(C2=CC=CC=C2)(C3=CC=CC=C3)CC4)=O)C5=CC=CC(=C5)[N+]([O-])=O
• InChI: 1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1
• InChIKey: SVJMLYUFVDMUHP-XIFFEERXSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 729.457°C at 760 mmHg (Cal.)
• Flash point: 394.961°C (Cal.)