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3alpha-Hydroxy-7-oxo-5beta-cholanic Acid

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Structure
CAS No.
4651-67-6
Chemical Name:
3alpha-Hydroxy-7-oxo-5beta-cholanic Acid
Synonyms
7-KETOLITHOCHOLIC ACID;Nutriacholic acid;7-Oxolithocholic acid;3α-Hydroxy-7-oxo-5β-cholan-24-oic acid;3α-Hydroxy-7-ketocholanic acid;Chenodeoxycholic acid EP Impurity F;3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC 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;OCA-A;Nsc226118
CBNumber:
CB2430908
Molecular Formula:
C24H38O4
Molecular Weight:
390.56
MOL File:
4651-67-6.mol
MSDS File:
SDS
Modify Date:
2023/9/1 11:14:56

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid 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)
pka 4.76±0.10(Predicted)
form Solid
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

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H302
Precautionary statements  P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety Statements  22-24/25
NFPA 704
0
2 0

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid price More Price(2)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) H0869 3α-Hydroxy-7-oxo-5β-cholanic Acid min. 95.0 % 4651-67-6 5G ₹10800 2022-05-26 Buy
TCI Chemicals (India) H0869 3α-Hydroxy-7-oxo-5β-cholanic Acid min. 95.0 % 4651-67-6 25G ₹19800 2022-05-26 Buy
Product number Packaging Price Buy
H0869 5G ₹10800 Buy
H0869 25G ₹19800 Buy

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Chemical Properties,Uses,Production

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.

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Preparation Products And Raw materials

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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 ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID alpha-Hydroxy-7-oxo-5beta-cholic acid 3-ALPHA-HYDROXY-7-OXO-5-BETA-CHOLANOICACID 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID 97+% Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3.alpha.,5.beta.)- Nsc226118 3-Hydoxy-7-ketocholanic acid 3α-Hydroxy-7-oxo-5β-cholanic acid 7-Ketochenodeoxycholic acid 7-Oxo-3α-hydroxy-5β-cholan-24-oic acid 3-Hydroxy-7-oxocholan-24-oic acid 3a-Hydroxy-7-oxo-5b-cholanic acid 3alpha-Hydroxy-7-oxo-5beta-cholic acid (3α,5β)-3-Hydroxy-7-oxo-Cholan-24-oic acid Cholan-24-oic acid,6-ethyl-3,7-dihydroxy-,(3α,5β,6β,7β)- 3-alpha-hydroxy-7-oxo-5-beta-cholan-24-oic obeticholic acid intermediate 1 3α-Hydroxy-7-keto-5β-cholanic Acid 3Α--hydroxy-7-oxo -5Β- bile acid OCA-A 3ɑ-Hydroxy-7-Oxo-5β-Cholanic Acid 3ALFA-HYDROXI-7KETO-5BETA-CHOLAN-24-ACID 3α-Hydroxy-7-oxo-5β-cholic acid 7-Ketolithocholic acid (3alpha-hydroxy-7-oxo-5beta-Cholanic acid) ursodeoxycholic acid oxide Ursodeoxycholic Acid EP Impurity F(7-Ketolithocholic Acid) Ursodeoxycholic Acid Impurity 6(Ursodeoxycholic Acid EP Impurity F) 3α-hydroxy-7-oxo-5β-cholanoic acid 3α-Hydroxy-7-oxo-5b-cholanic acid, 98% Chenodeoxycholic Acid Impurity 6 Ursodeoxycholic Acid EP Impurity F 3α-Hydroxy-7-oxo-5β-cholanicAcid> 5β-CHOLANIC acid-3α-OL-7-ONE Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)- Emtricitabine Impurity 33 7-oxolithocholicaci 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID USP/EP/BP Chenodeoxycholic Acid Impurity 6(Chenodeoxycholic Acid EP Impurity F) 3α-Hydroxy-7-keto-5β-cholanic Acid Chenodeoxycholic Acid EP Impurity F (Ursodeoxycholic Acid EP Impurity F/ 7-Oxo Ursodeoxycholic Acid/ 7-Oxo Chenodeoxycholic Acid) Ursodeoxycholic Acid EP Impurity F (Chenodeoxycholic Acid EP Impurity F/ 7-Oxo Ursodeoxycholic Acid/ 7-Oxo Chenodeoxycholic Acid) Ursodiol Impurity F 3α-Hydroxy-7-oxo-5β-cholanic acid Ursodeoxycholic Acid EP Impurity F,3α-hydroxy-7-oxo-5β-cholan-24-oic acid 7-KETOLITHOCHOLIC ACID 3ALPHA-HYDROXY-7-KETO-5BETA-CHOLANIC ACID Nutriacholic acid 3α-Hydroxy-7-oxo-5β-cholan-24-oic acid 7-Oxolithocholic 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 3α-Hydroxy-7-ketocholanic acid Chenodeoxycholic acid EP Impurity F