(3-Alpha,5-beta,6-Alpha)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid
- CAS
- 915038-26-5
- Formula
- C26H42O4
- MW
- 418.6 g/mol
ZX-025892
API Impurities
3,7-Diketo Chenodeoxycholic Acid
Reference StandardAvailable on request
Buy 3,7-Diketo Chenodeoxycholic Acid (CAS 859-97-2) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Part of our API Impurities range.
CAS number859-97-2
FormulaC24H36O4
Molar mass388.5 g/mol
Physical formSolid
HS code38229090
InChIKeyIOOKJGQHLHXYEF-FFFIEFPASA-N
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
About 3,7-Diketo Chenodeoxycholic Acid
3,7-Diketo Chenodeoxycholic Acid belongs to the Obeticholic Acid reference-standard family in the Zemixal catalogue. Identity at a glance (Reference Standard): CAS 859-97-2, formula C24H36O4 and molar mass 388.5 g/mol. It is handled as a solid.
Where it is used
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Order it in 10 mg, 25 mg, 50 mg and 100 mg packs or ask for a bulk quotation. You receive a certificate of analysis with characterisation data with each order. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Reference standards for Obeticholic Acid
See every impurity, metabolite and related compound we list for this API.
Obeticholic Acid standardsTypical uses
- Analytical method development
- Method validation (AMV)
- QC release testing
- ANDA / DMF filings
Applications
Specifications and identifiers
| Product name | 3,7-Diketo Chenodeoxycholic Acid |
|---|---|
| Catalogue number | ZX-025893 |
| 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 |
| Molar mass | 388.5 g/mol |
| Exact mass | 388.2614 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | 4.2 |
| H-bond donors / acceptors | 1 / 4 |
| Topological polar surface area | 71.4 Ų |
| HS 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 |
| 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 # |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about 3,7-Diketo Chenodeoxycholic Acid
Which CAS number identifies 3,7-Diketo Chenodeoxycholic Acid?
3,7-Diketo Chenodeoxycholic Acid is registered under CAS 859-97-2. You may also see it listed as 3,7-Dioxo-5beta-cholanoic acid, 3,7-Dioxo-5beta-cholan-24-oic Acid, 3,7-diketocholanic acid. Our catalogue number for this item is ZX-025893.
What are the formula and molar mass of 3,7-Diketo Chenodeoxycholic Acid?
For 3,7-Diketo Chenodeoxycholic Acid, its formula is C24H36O4 and its molar mass is 388.5 g/mol. The systematic (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. InChIKey IOOKJGQHLHXYEF-FFFIEFPASA-N lets you match it in any structure database.
How is 3,7-Diketo Chenodeoxycholic Acid used in pharmaceutical QC?
3,7-Diketo Chenodeoxycholic Acid is a characterised reference material linked to Obeticholic Acid. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 3,7-Diketo Chenodeoxycholic Acid?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 3,7-Diketo Chenodeoxycholic Acid?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 3,7-Diketo Chenodeoxycholic Acid to my country?
Yes. 3,7-Diketo Chenodeoxycholic Acid ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.
More Obeticholic Acid standards
More in API Impurities
(E)-3alpha-Hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid
- CAS
- 1516887-33-4
- Formula
- C26H40O4
- MW
- 416.6 g/mol
ZX-025896
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