1-O-({4'-[(1,7'-Dimethyl-2'-Propyl-1H,3'H-2,5'-Bibenzimidazol-3'-Yl)Methyl]-2-Biphenylyl}Carbonyl)-beta-D-Glucopyranuronic Acid
[CAS# 250780-40-6]

Identification

• Name: 1-O-({4'-[(1,7'-Dimethyl-2'-Propyl-1H,3'H-2,5'-Bibenzimidazol-3'-Yl)Methyl]-2-Biphenylyl}Carbonyl)-beta-D-Glucopyranuronic Acid
• Synonyms: Telmisartan acyl-¦Â-D-glucuronide
• Molecular Formula: C₃₉H₃₈N₄O₈
• Molecular Weight: 690.74
• CAS Registry Number: 250780-40-6
• SMILES: CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C
• InChI: 1S/C39H38N4O8/c1-4-9-30-41-31-21(2)18-24(36-40-27-12-7-8-13-28(27)42(36)3)19-29(31)43(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)38(49)51-39-34(46)32(44)33(45)35(50-39)37(47)48/h5-8,10-19,32-35,39,44-46H,4,9,20H2,1-3H3,(H,47,48)/t32-,33-,34+,35-,39-/m0/s1
• InChIKey: RCOBUBSULFIXAR-QQPFWGBFSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 984.5±75.0°C at 760 mmHg (Cal.)
• Flash point: 549.2±37.1°C (Cal.)
• Refractive index: 1.694 (Cal.)