ChemicalBook--->CAS DataBase List--->10538-59-7

10538-59-7

10538-59-7 Structure

10538-59-7 Structure
IdentificationBack Directory
[Name]

7-ketolithocholic Methyl ester
[CAS]

10538-59-7
[Synonyms]

Obeticholic Acid N-4
route 3 intermediate2
Obeticholic intermediate-2
7-ketolithocholic Methyl ester
obeticholic acid intermediate 2
Methyl 7-keto-3α-hydroxy-5β-cholanoate
Methyl 3α-hydroxy-7-oxo-5β-cholan-24-oate
6-Ethylchenodeoxycholic acid intermediate
7-Ketolithocholic acid methyl ester (BTC-E1)
Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate
3a-hydroxy-7-oxo-24-cholanoic acid methyl ester
Methyl 3alpha-hydroxy-7-oxo-5beta-cholan-24-oate
5β-Cholanic acid, 3α-hydroxy-7-oxo-, methyl ester
3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Methyl Ester
Cholan-24-oic acid, 3-hydroxy-7-oxo-, methyl ester, (3α,5β)-
Obeticholic Acid Impurity 15 Cholan-?24-?oic acid, 3-?(acetyloxy)?-?7-?oxo-?, methyl ester, (3α,?5β)?-
[Molecular Formula]

C25H40O4
[MDL Number]

MFCD00271395
[MOL File]

10538-59-7.mol
[Molecular Weight]

404.59
Chemical PropertiesBack Directory
[Melting point ]

107-109℃
[Boiling point ]

505.7±25.0 °C(Predicted)
[density ]

1.085±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

15.02±0.70(Predicted)
[InChIKey]

FNBYYFMYNRYPPC-CSEBQVRTNA-N
[SMILES]

C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](O)C[C@@]4([H])CC(=O)[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)OC)C |&1:1,4,6,9,12,17,19,23,25,r|
Hazard InformationBack Directory
[Uses]

Nutriacholic Acid Methyl Ester is the methyl ester of Nutriacholic Acid (N925550) which is a derivative of Lithocholic Acid (L469180), a cholic acid derivative as TGR5 modulator.
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