3,7-Diketo Chenodeoxycholic Acid

Name: 3,7-Diketo Chenodeoxycholic Acid
Brand: Vaqora Chemicals
SKU: VQ-026969

About 3,7-Diketo Chenodeoxycholic Acid

Vaqora Chemicals supplies 3,7-Diketo Chenodeoxycholic Acid, an impurity of Obeticholic Acid registered under CAS number 859-97-2. With the molecular formula C24H36O4, it has a molar mass of 388.5 g/mol. Common synonyms include 3,7-Dioxo-5beta-cholanoic acid and 3,7-Dioxo-5beta-cholan-24-oic Acid.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Good laboratory practice and suitable PPE are recommended during handling.

As a characterised impurity of Obeticholic Acid, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer 3,7-Diketo Chenodeoxycholic Acid in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

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	3,7-Diketo Chenodeoxycholic Acid
Catalogue No.	VQ-026969
CAS Number	859-97-2
IUPAC name	(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular formula	C₂₄H₃₆O₄
Molecular weight	388.5 g/mol
Exact mass	388.2614
Grade	Reference Standard
HSN code	38229090
InChIKey	IOOKJGQHLHXYEF-FFFIEFPASA-N
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
PubChem CID	94192

Physical properties
Physical form	Solid
LogP (XLogP3)	4.2
H-bond donors / acceptors	1 / 4
TPSA	71.4 Å²
Synonyms	3,7-Dioxo-5beta-cholanoic acid, 3,7-Dioxo-5beta-cholan-24-oic Acid, 3,7-diketocholanic acid, 3,7-diketone, 3,7-Diketo-CA, 5.beta.-Cholan-24-oic acid, 3,7-dioxo-, Cholan-24-oic acid, 3,7-dioxo-, (5.beta.)-, Chenodeoxycholic acid, dehydro-, 3,7-dioxo-5beta-cholanic acid, 3,7-diketo-5beta-cholanoic acid, 3,7-Dioxocholan-24-oic acid #

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 3,7-Diketo Chenodeoxycholic Acid?

The CAS Registry Number of 3,7-Diketo Chenodeoxycholic Acid is 859-97-2. It is also known as 3,7-Dioxo-5beta-cholanoic acid, 3,7-Dioxo-5beta-cholan-24-oic Acid, 3,7-diketocholanic acid.

What is the molecular formula and molecular weight of 3,7-Diketo Chenodeoxycholic Acid?

3,7-Diketo Chenodeoxycholic Acid has the molecular formula C24H36O4 and a molecular weight of 388.5 g/mol. Its IUPAC name is (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.

What is 3,7-Diketo Chenodeoxycholic Acid used for?

3,7-Diketo Chenodeoxycholic 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 3,7-Diketo Chenodeoxycholic Acid can I order?

We supply 3,7-Diketo Chenodeoxycholic 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 3,7-Diketo Chenodeoxycholic Acid?

Yes. Every lot of 3,7-Diketo Chenodeoxycholic 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 3,7-Diketo Chenodeoxycholic Acid be shipped internationally?

Yes. We export 3,7-Diketo Chenodeoxycholic Acid worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.