| Identification | Back Directory | [Name]
3-Oxo-7α-hydroxy-5β-cholanoic Acid | [CAS]
4185-00-6 | [Synonyms]
KNVADAPHVNKTEP-CIGXQKLNSA-N
Obeticholic Acid Impurity 58
Ursodeoxycholic Acid Impurity 22
Ursodeoxycholic acid EP Impurity J
7a-Hydroxy-3-oxo-5b-cholanoic acid
3-Oxo-7α-hydroxy-5β-cholanoic Acid
7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid
Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5β,7α)-
Obeticholic Acid Impurity 1/3-Oxodeoxycholic Acid/3-Oxo-7α-hydroxy-5β-cholanoic Acid | [Molecular Formula]
C24H38O4 | [MOL File]
4185-00-6.mol | [Molecular Weight]
390.56 |
| Chemical Properties | Back Directory | [Melting point ]
111-114 °C | [Boiling point ]
545.9±25.0 °C(Predicted) | [density ]
1.124±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.76±0.10(Predicted) | [color ]
White to Pale Yellow | [InChIKey]
KNVADAPHVNKTEP-CIGXQKLNSA-N | [SMILES]
[H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])C[C@H]2O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Sens. 1 |
| Hazard Information | Back Directory | [Uses]
3-Oxo-7a-hydroxy-5β-cholanoic Acid is a keto bile acid derivative. | [Definition]
ChEBI: A 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone. |
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TOSUN PHARM
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