Obeticholic acid metabolite UPF-1443
[CAS# 863239-61-6]

Identification

• Name: Obeticholic acid metabolite UPF-1443
• Synonyms: Tauro-Obeticholic Acid;2-[[(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]amino]ethanesulfonic acid
• Molecular Formula: C₂₈H₄₉NO₆S
• Molecular Weight: 527.76
• CAS Registry Number: 863239-61-6
• 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)NCCS(=O)(=O)O)C)C)O

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.539, Calc.^*

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