N-[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-L-glycero-hexopyranuronosylamine
[CAS# 126883-99-6]

Identification

• Name: N-[4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-L-glycero-hexopyranuronosylamine
• Synonyms: Norverapamil N-¦Â-D-Glucuronide; Norverapamil N-β-D-Glucuronide
• Molecular Formula: C₃₂H₄₄N₂O₁₀
• Molecular Weight: 616.70
• CAS Registry Number: 126883-99-6
• SMILES: CC(C)C(CCCN(CCc1ccc(c(c1)OC)OC)[C@@H]2C(C([C@H](C(O2)C(=O)O)O)O)O)(C#N)c3ccc(c(c3)OC)OC
• InChI: 1S/C32H44N2O10/c1-19(2)32(18-33,21-9-11-23(41-4)25(17-21)43-6)13-7-14-34(15-12-20-8-10-22(40-3)24(16-20)42-5)30-28(37)26(35)27(36)29(44-30)31(38)39/h8-11,16-17,19,26-30,35-37H,7,12-15H2,1-6H3,(H,38,39)/t26?,27-,28?,29?,30+,32?/m1/s1
• InChIKey: PMBMAYXZKGXGNE-NOEYTKKSSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 812.074°C at 760 mmHg (Cal.)
• Flash point: 444.926°C (Cal.)
• Refractive index: 1.593 (Cal.)