3-Alpha-Hydroxy-7-oxo-5beta-cholanic acid , 98% , 4651-67-6

Synonym(s):
5β-cholanoic acid-3α-ol-7-one

CAS NO.：4651-67-6

Empirical Formula: C24H38O4

Molecular Weight: 390.56

MDL number: MFCD00271393

EINECS: 225-083-2

PRODUCT Properties

• Melting point: 205°C
• Boiling point: 545.9±25.0 °C(Predicted)
• Density: 1.124±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
• pka: 4.76±0.10(Predicted)
• form: Solid
• color: White to Off-White
• optical activity: Consistent with structure
• Water Solubility: 2.062mg/L at 25℃
• InChIKey: DXOCDBGWDZAYRQ-QHVQYUNXNA-N
• SMILES: C(O)(=O)CC[C@H]([C@@H]1[C@@]2(C)CC[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC(=O)[C@@]3([H])[C@]2([H])CC1)C |&1:5,6,7,11,13,17,20,25,27,r|
• LogP: 3.48 at 20℃

Description and Uses

Nutriacholic Acid (Ursodeoxycholic Acid EP Impurity F) is derivative of Lithocholic Acid (L469180), a cholic acid derivative as TGR5 modulator.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H302
• Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
• Safety Statements: 22-24/25