5-[{2-[4-(Benzyloxy)-3-Methoxyphenyl]Ethyl}(Methyl)Amino]-2-(3,4-Dimethoxyphenyl)-2-Isopropylpentanenitrile
[CAS# 114829-62-8]

Identification

• Name: 5-[{2-[4-(Benzyloxy)-3-Methoxyphenyl]Ethyl}(Methyl)Amino]-2-(3,4-Dimethoxyphenyl)-2-Isopropylpentanenitrile
• Synonyms: p-O-Desmethyl p-O-Benzyl Verapamil
• Molecular Formula: C₃₃H₄₂N₂O₄
• Molecular Weight: 530.70
• CAS Registry Number: 114829-62-8
• SMILES: CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OCc2ccccc2)(C#N)c3ccc(c(c3)OC)OC
• InChI: 1S/C33H42N2O4/c1-25(2)33(24-34,28-14-16-29(36-4)32(22-28)38-6)18-10-19-35(3)20-17-26-13-15-30(31(21-26)37-5)39-23-27-11-8-7-9-12-27/h7-9,11-16,21-22,25H,10,17-20,23H2,1-6H3
• InChIKey: PWIBBBJJFPZJFC-UHFFFAOYSA-N

Properties

• Density: 1.083g/cm³ (Cal.)
• Boiling point: 662.483°C at 760 mmHg (Cal.)
• Flash point: 354.457°C (Cal.)
• Refractive index: 1.55 (Cal.)