Carvedilol beta-D-Glucuronide
[CAS# 114869-83-9]

Identification

• Name: Carvedilol beta-D-Glucuronide
• Synonyms: Carvedilol & β; -D-Glucuronide (mixture of diasteromers); Carvedilol β-D-Glucuronide
• Molecular Formula: C₃₀H₃₄N₂O₁₀
• Molecular Weight: 582.60
• CAS Registry Number: 114869-83-9
• SMILES: COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O[C@H]5[C@H]([C@H]([C@@H](C(O5)C(=O)O)O)O)O
• InChI: 1S/C30H34N2O10/c1-38-21-10-4-5-11-22(21)39-14-13-31-15-17(41-30-27(35)25(33)26(34)28(42-30)29(36)37)16-40-23-12-6-9-20-24(23)18-7-2-3-8-19(18)32-20/h2-12,17,25-28,30-35H,13-16H2,1H3,(H,36,37)/t17?,25-,26-,27-,28?,30+/m0/s1
• InChIKey: PUVQFGCELBOSRN-HEJFJQCXSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 880.86°C at 760 mmHg (Cal.)
• Flash point: 486.527°C (Cal.)
• Refractive index: 1.69 (Cal.)