O3-[2-[4-(4-Benzhydrylpiperazin-1-Yl)Phenyl]Ethyl] O5-Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate Dihydrochloride
[CAS# 133743-71-2]

Identification

• Name: O3-[2-[4-(4-Benzhydrylpiperazin-1-Yl)Phenyl]Ethyl] O5-Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate Dihydrochloride
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[4-(4-Benzhydryl-1-Piperazinyl)Phenyl]Ethyl] O5-Methyl Ester Dihydrochloride; 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[4-(4-Benzhydrylpiperazin-1-Yl)Phenyl]Ethyl] O5-Methyl Ester Dihydrochloride; Vatanidipine Hydrochloride (Jan)
• Molecular Formula: C₄₁H₄₄Cl₂N₄O₆
• Molecular Weight: 759.73
• CAS Registry Number: 133743-71-2
• SMILES: [H+].[H+].C(OC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)[N+]([O-])=O)C(OC)=O)C)C)CC6=CC=C(N5CCN(C(C3=CC=CC=C3)C4=CC=CC=C4)CC5)C=C6.[Cl-].[Cl-]
• InChI: 1S/C41H42N4O6.2ClH/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32;;/h4-20,27,38-39,42H,21-26H2,1-3H3;2*1H
• InChIKey: MVMIPBPFTZGTBS-UHFFFAOYSA-N

Properties

• Boiling point: 799.4°C at 760 mmHg (Cal.)
• Flash point: 437.3°C (Cal.)