Obeticholic Acid Dimer
[CAS# 1908444-28-9]

Identification

• Name: Obeticholic Acid Dimer
• Synonyms: 7-epi-Obeticholic acid 3-obeticholate ester;(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• Molecular Formula: C₅₂H₈₆O₇
• Molecular Weight: 823.24
• CAS Registry Number: 1908444-28-9
• SMILES: CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O[C@@H]5CC[C@@]6([C@H]7CC[C@]8([C@H]([C@@H]7[C@@H]([C@@H]([C@@H]6C5)CC)O)CC[C@@H]8[C@H](C)CCC(=O)O)C)C)C)C)O

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.562, Calc.^*
• Boiling Point: 842.5±50.0 ºC (760 mmHg), Calc.^*
• Flash Point: 231.5±23.6 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319
• Precautionary Statements: P261-P271-P280-P302+P352-P305+P351+P338