ChemicalBook--->CAS DataBase List--->4651-67-6

4651-67-6

4651-67-6 Structure

4651-67-6 Structure
IdentificationBack Directory
[Name]

3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
[CAS]

4651-67-6
[Synonyms]

OCA-A
Nsc226118
Nutriacholic acid
Hydroxycholanicacid
7-oxolithocholicaci
Ursodiol Impurity F
7-Oxolithocholic acid
7-KETOLITHOCHOLIC ACID
Emtricitabine Impurity 33
ursodeoxycholic acid oxide
7-Ketochenodeoxycholic acid
3-Hydoxy-7-ketocholanic acid
5β-CHOLANIC acid-3α-OL-7-ONE
Obeticholic Acid impurity 01
5β-CHOLANIC ACID-3α-OL-7-ONE
3α-Hydroxy-7-ketocholanic acid
obeticholic acid intermediate 1
3α-Hydroxy-7-oxo-5β-cholic acid
Chenodeoxycholic Acid Impurity 6
3Α--hydroxy-7-oxo -5Β- bile acid
3ɑ-Hydroxy-7-Oxo-5β-Cholanic Acid
3α-Hydroxy-7-oxo-5β-cholanic acid
3-Hydroxy-7-oxocholan-24-oic acid
3a-Hydroxy-7-oxo-5b-cholanic acid
3α-Hydroxy-7-oxo-5β-cholanic acid
Ursodeoxycholic Acid EP Impurity F
3α-hydroxy-7-oxo-5β-cholanoic acid
3α-Hydroxy-7-keto-5β-cholanic Acid
3α-Hydroxy-7-keto-5β-cholanic Acid
3α-Hydroxy-7-oxo-5β-cholanicAcid>
Urosodeoxycholic Acid EP Impurity F
Chenodeoxycholic acid EP Impurity F
3alpha-Hydroxy-7-oxo-5?cholanic acid
5-BETA-CHOLANIC ACID-3-ALPHA-OL-7-ONE
alpha-Hydroxy-7-oxo-5beta-cholic acid
3-hydroxy -7- oxo -5beta- cholic acid
3α-hydroxy-7-oxo-5β-cholan-24-oicacid
3α-Hydroxy-7-oxo-5b-cholanic acid, 98%
3α-Hydroxy-7-oxo-5β-cholan-24-oic acid
3alpha-Hydroxy-7-oxo-5beta-cholic acid
7-Oxo-3α-hydroxy-5β-cholan-24-oic acid
ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
3ALFA-HYDROXI-7KETO-5BETA-CHOLAN-24-ACID
3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC ACID
3-ALPHA-HYDROXY-7-OXO-5-BETA-CHOLANOICACID
(3α,5β)-3-Hydroxy-7-oxo-Cholan-24-oic acid
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID 97+%
Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-
3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic acid
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID USP/EP/BP
7-Ketolithocholic acid (Ursodeoxycholic Acid Impurity)
Cholan-24-oic acid,6-ethyl-3,7-dihydroxy-,(3α,5β,6β,7β)-
Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3.alpha.,5.beta.)-
Ursodeoxycholic Acid EP Impurity F(7-Ketolithocholic Acid)
7-Ketolithocholic acid (3alpha-hydroxy-7-oxo-5beta-Cholanic acid)
Ursodeoxycholic Acid Impurity 6(Ursodeoxycholic Acid EP Impurity F)
Urosodeoxycholic Acid EP Impurity F(Obeticholic Acid Intermediate 1)
Chenodeoxycholic Acid Impurity 6(Chenodeoxycholic Acid EP Impurity F)
Ursodeoxycholic Acid EP Impurity F,3α-hydroxy-7-oxo-5β-cholan-24-oic acid
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
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-diMethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Ursodeoxycholic Acid EP Impurity F (Chenodeoxycholic Acid EP Impurity F/ 7-Oxo Ursodeoxycholic Acid/ 7-Oxo Chenodeoxycholic Acid)
Chenodeoxycholic Acid EP Impurity F (Ursodeoxycholic Acid EP Impurity F/ 7-Oxo Ursodeoxycholic Acid/ 7-Oxo Chenodeoxycholic Acid)
[EINECS(EC#)]

225-083-2
[Molecular Formula]

C24H38O4
[MDL Number]

MFCD00271393
[MOL File]

4651-67-6.mol
[Molecular Weight]

390.56
Chemical PropertiesBack Directory
[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℃
Safety DataBack Directory
[Safety Statements ]

22-24/25
Hazard InformationBack Directory
[Uses]

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

ChEBI: A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
[Flammability and Explosibility]

Nonflammable
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID(4651-67-6)MS
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID(4651-67-6)13CNMR
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID(4651-67-6)IR1
3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID(4651-67-6)IR2
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