Obeticholic Acid Impurity 2
[CAS# 1708092-13-0]

Identification

• Name: Obeticholic Acid Impurity 2
• Synonyms: (4R)-4-[(3R,5S,6S,7S,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]pentanoic acid
• Molecular Formula: C₂₆H₄₄O₄
• Molecular Weight: 420.63
• CAS Registry Number: 1708092-13-0
• 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)C)O

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.530, Calc.^*
• Boiling Point: 562.9±25.0 ºC (760 mmHg), Calc.^*
• Flash Point: 308.3±19.7 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