(3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid | CAS No. 517-33-9

(3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid

Basic Information

CAS Number

517-33-9

Molecular Formula

C24H36O5

Molecular Weight

404.55 g/mol

AD

Basic Physical Properties

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C

InChI

InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey

MAFJMPFLJJCSTB-FQBQTYDJSA-N

LogP

3.8651000000000035

Topological Polar Surface Area

91.67 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

  • Cholan-24-oic acid,3-hydroxy-7,12-dioxo-, (3a,5b)-
  • 3-Hydroxy-7,12-diketocholanoic acid
  • 3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid
  • (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

MDL Number

MFCD00200677

FAQ

What regulatory guidelines apply to (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid (CAS: 517-33-9)?

The regulatory guidelines for (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid (CAS: 517-33-9) include GHS classification under the Globally Harmonized System of Classification and Labelling of Chemicals, REACH regulations for European Union member states, and FDA/EPA requirements for its use in pharmaceutical and industrial applications. Proper handling, storage, and disposal practices must comply with these regulations to ensure safety and environmental protection.

Are there alternatives to (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid in synthesis?

Several alternatives to (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid can be used in synthesis based on the specific application. Commonly, isomers and analogs such as 3-oxocholan-24-oic acid can be considered. Other substitute reagents like ursodeoxycholic acid are also viable options depending on the desired chemical properties and reaction conditions.

What is the market or research trend for (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid?

The market and research trends for (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid (CAS: 517-33-9) are showing growth in pharmaceutical and biotechnological applications. Research is focusing on its potential as an anti-inflammatory and hepatoprotective agent. Market trends indicate increasing demand due to its unique chemical properties and potential therapeutic uses. However, precise price trends and demand levels may fluctuate based on industry dynamics.

How should waste containing (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid be handled?

Waste containing (3alpha,5beta)-3-Hydroxy-7,12-dioxocholan-24-oic acid (CAS: 517-33-9) should be handled with care to ensure safety and environmental protection. Collection should be done in appropriate containers, and the waste should be incinerated or disposed of by a professional waste disposal service. Environmental precautions include minimizing spillage during handling and ensuring that any contaminated materials are properly contained to prevent soil or water pollution. Compliance with local and national regulations is essential.

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