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| | 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Basic information |
| Product Name: | 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid | | Synonyms: | 7-KETOLITHOCHOLIC ACID;3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC ACID;3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID;5-BETA-CHOLANIC ACID-3-ALPHA-OL-7-ONE;3alpha-Hydroxy-7-oxo-5?cholanic acid;3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid;Hydroxycholanicacid;4-(3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetrade cahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid | | CAS: | 4651-67-6 | | MF: | C24H38O4 | | MW: | 390.56 | | EINECS: | 225-083-2 | | Product Categories: | Obeticholic acid intermediate;Bile Acids;Biochemistry;Steroids;Ocaliva intermediate | | Mol File: | 4651-67-6.mol |  |
| | 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) | | form | Solid | | pka | 4.76±0.10(Predicted) | | 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℃ |
| | 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 | Nonflammable |
| | 3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Preparation Products And Raw materials |
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