3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
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
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 20:33:22
What is 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid?
The Uses of 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
Nutriacholic Acid (Ursodeoxycholic Acid EP Impurity F) is derivative of Lithocholic Acid (L469180), a cholic acid derivative as TGR5 modulator.
The Uses of 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
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.
What are the applications of Application
3alpha-Hydroxy-7-oxo-5beta-cholanic Acid is a derivative of Lithocholic Acid
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
Properties of 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
| 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) |
| form | Solid |
| pka | 4.76±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | 2.062mg/L at 25℃ |
Safety information for 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
Computed Descriptors for 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
| 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| |
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Medec Dragon Private Limited
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