3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid

About 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid

3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is a metabolite or degradation product of Obeticholic Acid carrying the CAS registry number 4185-00-6. The compound has the formula C24H38O4, corresponding to a molecular weight of 390.6 g/mol. Common synonyms include 3-Oxo-7a-hydroxy-5-β-cholanoic Acid and 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Analytical teams use this compound to identify metabolites and degradants of Obeticholic Acid, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Obeticholic Acid

View every impurity, metabolite and intermediate we list for Obeticholic Acid.

Obeticholic Acid impurities

Specifications & identifiers

Chemical identifiers
Product name	3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid
Catalogue No.	VQ-032222
CAS Number	4185-00-6
IUPAC name	(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular formula	C₂₄H₃₈O₄
Molecular weight	390.6 g/mol
Exact mass	390.277
Grade	Reference Standard
HSN code	38229090
InChIKey	KNVADAPHVNKTEP-CIGXQKLNSA-N
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C
PubChem CID	5283932

Physical properties
Physical form	Solid
LogP (XLogP3)	4.5
H-bond donors / acceptors	2 / 4
TPSA	74.6 Å²
Synonyms	3-Oxo-7a-hydroxy-5-β-cholanoic Acid, 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 3-oxochenodeoxycholic acid, (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oic acid, Dehydrochenodeoxycholic acid, 3-Oxo-7alpha-hydroxycholan-24-oic acid, 3-dehydrochenodeoxycholic acid, Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5beta,7alpha)-, 7a-Hydroxy-3-oxo-5b-cholanoic acid, 3-Oxo-7a-hydroxy-5b-cholanoic Acid, 3-Keto-CDCA, 3-oxo-chenodeoxycholic acid

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H317May cause an allergic skin reaction
H319Causes serious eye irritation

Precautionary statements: P261, P264 + P265, P272, P280, P302 + P352, P305 + P351 + P338, P321, P333 + P317, P337 + P317, P362 + P364, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?

The CAS Registry Number of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is 4185-00-6. It is also known as 3-Oxo-7a-hydroxy-5-β-cholanoic Acid, 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 3-oxochenodeoxycholic acid.

What is the molecular formula and molecular weight of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?

3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid has the molecular formula C24H38O4 and a molecular weight of 390.6 g/mol.

What is 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid used for?

3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is supplied as a characterised reference material related to Obeticholic Acid. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid can I order?

We supply 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?

Yes. Every lot of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid be shipped internationally?

Yes. 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.