(3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid | CAS No. 83701-16-0

(3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid

Basic Information

CAS Number

83701-16-0

Molecular Formula

C24H36D4O3

Molecular Weight

380.61 g/mol

AD

Basic Physical Properties

Melting Point

184-186 °C

C[C@@H]([C@H]1CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)CCC(O)=O

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/i10D2,14D2

InChIKey

SMEROWZSTRWXGI-POXZWENPSA-N

LogP

5.507100000000005

Topological Polar Surface Area

57.53 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Synonyms & References

English

  • LITHOCHOLIC-2,2,4,4-D4 ACID
  • Lithocholic Acid-d4
  • <1,1,4,4-2H>-Lithocholsaeure
  • 3-Hydroxycholan-24-oic Acid-d4
  • A-cholanic Acid-d4
  • A-cholanoic Acid-d4
  • A-Hydroxy-5
  • A-Hydroxycholanic Acid-d4
  • Lithocholic acid-2,2,4,4-d4
  • Lithocholic acid-d

MDL Number

MFCD00190473

FAQ

What regulatory guidelines apply to (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0)?

The (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0) falls under various regulatory guidelines such as GHS for chemical classification and hazard communication, REACH for European Union registration, evaluation, and authorization of chemicals, and FDA/EPA for safety, environmental, and health regulations. Compliance with these guidelines ensures safe handling and use.

Are there alternatives to (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid in synthesis (CAS: 83701-16-0)?

For synthesis of (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0), alternatives include using similar bile acid precursors like cholic acid or other natural isomers. Common alternative reagents include sodium hydroxide and other catalysts, which can be substituted based on specific reaction conditions and desired product purity.

What is the market or research trend for (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0)?

The market and research trends for (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0) are focused on its potential in bile acid metabolism studies and pharmaceutical applications. Recent research has seen increased interest in its role as a marker for metabolic disorders and liver health, driving both academic and industrial exploration.

How should waste containing (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0) be handled?

Waste containing (3alpha,5beta)-3-Hydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid (CAS: 83701-16-0) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services to ensure compliance with environmental protection regulations. Precautions include minimizing environmental exposure and adhering to local waste management guidelines.

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