Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (1:1:1) | CAS No. 207737-97-1

Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (1:1:1)

Basic Information

CAS Number

207737-97-1

Molecular Formula

C26H46NNaO7S

Molecular Weight

539.7 g/mol

AD

Basic Physical Properties

Melting Point

168 °C (dec.)

Solubility

H2O: soluble0.5M, clear, colorless to faintly yellow

CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.O.[Na+]

InChI

InChI=1S/C26H45NO6S.Na.H2O/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);;1H2/q;+1;/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;;/m1../s1

InChIKey

OLPIZAYYAVQETM-GGPRKOIFSA-M

LogP

4.46210

Complexity

864

Synonyms & References

English

  • taurodeoxycholic acid sodium salt monohydrate
  • Taurodeoxycholic acid (sodium hydrate)
  • Sodium taurodeoxycholate hydrate, >=95% (TLC)
  • 207737-97-1
  • Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate hydrate
  • AKOS030491315
  • Sodium taurodeoxycholate hydrate
  • 2-([3alpha,12alpha-Dihydroxy-24-oxo-5beta-cholan-24-yl]amino)ethanesulfonic acid
  • 2-[[(3,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid sodium salt hydrate
  • Sodium taurodeoxycholate hydrate, BioXtra, >=97% (TLC)
  • MFCD00149238
  • AS-80686
  • NS00073955
  • F20490
  • sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate;hydrate
  • CS-0014405
  • SODIUM HYDRATE TAURODEOXYCHOLATE
  • HY-B1899A
  • Taurodeoxycholic acid sodium salt hydrate
  • Sodium 2-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate xhydrate
  • Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt, hydrate (1:1:?)
  • Ethanesulfonic acid,2-[[(3a,5b,12a)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt, hy...
  • Taurodeoxycholic acid sodium salt monohydrate
  • USD250
  • 2-([3α,12α-Dihydroxy-24-oxo-5β-cholan-24-yl]amino)ethanesulfonic acid

MDL Number

MFCD00149238

FAQ

What is Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1)?

Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) is a compound with a complex structure, containing a choline ester backbone and a sodium salt. It is primarily used in pharmaceutical formulations as a choline donor and in research as a model compound for studying lipid metabolism.

What are the main uses of Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1)?

Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) is mainly used in the development of new drugs for treating neurological disorders and as a research tool in cell biology and biochemistry. It is also utilized in the pharmaceutical industry for its choline donor properties.

Is Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) safe?

Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) is generally considered safe when used under controlled laboratory conditions. However, proper handling and storage are essential to avoid potential skin irritation and inhalation risks. Always follow safety guidelines and wear appropriate personal protective equipment.

How should Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) be stored?

Sodium 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonate hydrate (CAS: 207737-97-1) should be stored at room temperature, protected from direct sunlight and moisture. It should be kept in a tightly sealed container and away from heat sources. Avoid contact with air and handle with care to prevent inhalation or skin exposure.

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