Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate | CAS No. 863-57-0

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate

Basic Information

CAS Number

863-57-0

Molecular Formula

C26H42NNaO6

Molecular Weight

487.6 g/mol

AD

Basic Physical Properties

Melting Point

210-215 °C (subl.)

Boiling Point

692°C at 760 mmHg

Refractive Index

30 ° (C=1, H2O)

O=C([O-])CNC(CC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O.[Na+]

InChI

InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15?,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1

InChIKey

OABYVIYXWMZFFJ-IPBWKMHYSA-M

LogP

1.62110

Complexity

766

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Sodium glycocholate
  • Sodium N-(3a,7a,12a-trihydroxy-24-oxocholan-24-yl)glycinate
  • Glycocholic acid sodium salt
  • Glycocholic acid
  • Sodium glycocholate hydrate
  • SodiuM hypochlorite solution
  • Sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9R,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7
  • Glycocholic acid (sodium)
  • SB67324
  • Sodium Glycocholate

MDL Number

MFCD00036741

Customs Code

29242990

FAQ

What are the physical and chemical properties of Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0)?

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) is a white crystalline solid with a molecular weight of approximately 734.93 g/mol. It has a solubility of about 3.5 g/L in water at 20°C and reacts readily with acids. This compound is slightly basic in nature and is stable under normal conditions but decomposes with heat and light. It is not flammable but care should be taken to avoid contact with strong oxidizers.

How is Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) typically synthesized?

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) can be synthesized through the condensation of 3,7,12-trihydroxy-24-oxocholan-24-ylamine with sodium acetate. The reaction is catalyzed by a strong base such as sodium hydride, and the selectivity for the desired product is high. The yield typically ranges from 70-85%, depending on the purity of the starting materials and the efficiency of purification steps.

What industries use Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0)?

Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0) is primarily used in the pharmaceutical industry for the synthesis of various cholesterols and in the production of cholesterol inhibitors. It is also used in the polymer industry as a stabilizer and in the sensing technology for detecting cholesterol levels in medical applications.

What precautions should be taken when handling Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0)?

When handling Sodium {[(3alpha,7alpha,8xi,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 863-57-0), it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. The compound should be stored in a cool, dry place, away from heat and direct sunlight. In case of spillage, it is crucial to use appropriate containment and clean up with care to avoid exposure. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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