3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Chemical 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

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℃

Safety Information

Safety Statements 

22-24/25

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Usage And Synthesis

Uses

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

Uses

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid is an intermediate in organic synthesis and pharmaceutical research and development. It can be used to synthesize the choleretic drug Obeticholic acid. Obeticholic acid can inhibit cholic acid synthesis. It is commonly used to treat primary biliary cirrhosis and nonalcoholic fatty liver disease.

Definition

ChEBI: 7-oxolithocholic acid is a bile acid that is lithocholic acid carrying an additional oxo substituent at position 7. It has a role as a human metabolite. It is a bile acid, a monohydroxy-5beta-cholanic acid, an oxo-5beta-cholanic acid and a 3alpha-hydroxy steroid. It is functionally related to a lithocholic acid. It is a conjugate acid of a 7-oxolithocholate.

Flammability and Explosibility

Non flammable

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid(4651-67-6)Related Product Information

• 7-ketolithocholic Methyl ester
• Cholan-24-oic acid, 7-hydrazono-3,12-dihydroxy-, (3α,5β,12α)-
• (3α,5β,12α)-(3′α,5′β,12′α)-7,7′-(1,2-Hydrazinediylidene)bis[3,12-dihydroxycholan-24-oic acid]
• 7-KETODEOXYCHOLIC ACID
• 4-[(5S,7S,8S,10S,13R,17R)-3,7,12-trihydroxy-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
• (+)-NEOMENTHOL
• (2R,5S)-5-(5-Fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
• (2S)-2-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-1,3-oxathiolan-5-ol 5-Acetate
• Emtricitabine Impurity 18
• Emtricitabine Impurity
• 5-fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine
• 5-epi EMtricitabine
• Ursodeoxycholic acid
• 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-cis)- (9CI)
• Emtricitabine
• Emtricitabine Impurity 8
• ISOPULEGOL, TECH.
• 156198-94-6