2-(N-Benzyl-N-Methylamino)Ethyl Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-3,5-Pyridinedicarboxylate
[CAS# 59875-58-0]

Identification

• Name: 2-(N-Benzyl-N-Methylamino)Ethyl Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-3,5-Pyridinedicarboxylate
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)Pyridine-3,5-Dicarboxylic Acid O5-Methyl O3-[2-(Methyl-(Phenylmethyl)Amino)Ethyl] Ester; 2,6-Dimethyl-4-(3-Nitrophenyl)Pyridine-3,5-Dicarboxylic Acid O3-[2-(Benzyl-Methyl-Amino)Ethyl] O5-Methyl Ester; M-5 Nicardipine Pyridine Metabolite
• Molecular Formula: C₂₆H₂₇N₃O₆
• Molecular Weight: 477.52
• CAS Registry Number: 59875-58-0
• SMILES: C3=C(C2=C(C(OCCN(CC1=CC=CC=C1)C)=O)C(=NC(=C2C(OC)=O)C)C)C=CC=C3[N+]([O-])=O
• InChI: 1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3
• InChIKey: GROZWIBBDLLXKU-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 583.061°C at 760 mmHg (Cal.)
• Flash point: 306.424°C (Cal.)