Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate

Basic Information

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CAS Number

16564-43-5

Molecular Formula

C26H42NNaO5

Molecular Weight

471.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

No data available

Melting Point

No data available

Boiling Point

No data available

Flash Point

No data available

Solubility

H2O: 50 mg/mL, clear, faintly yellow

Vapor Pressure

No data available

SMILES

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CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]

InChI

InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29;/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-;/m1./s1

InChIKey

AAYACJGHNRIFCT-YRJJIGPTSA-M

LogP

2.65030

Complexity

734

Synonyms & References

English

Sodium glycochenodeoxycholate, >=97% (HPLC)
Sodium glycochenodeoxycholate
Glycochenodeoxycholic Acid Sodium Salt (Ultra pure, >97%)
sodium [(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetate
AS-80509
Sodium Glycochenodesoxycholate
Glycochenodeoxycholic acid (sodium salt)
MFCD00036743
HY-N2334A
16564-43-5
Sodium Chenodeoxycholylglycine
CHEBI:87818
NSC 681056
GLYCINE, N-((3.ALPHA.,5.BETA.,7.ALPHA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)-, SODIUM SALT (1:1)
sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]acetate
3alpha,7alpha-Dihydroxy-5beta-cholanoic acid N-(carboxymethyl)amide sodium salt
sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]acetate
F17425
Glycochenodeoxycholic acid sodium
Glycochenodeoxycholic Acid Sodium Salt, 95%
sodium N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
Chenodeoxycholylglycine (sodium salt);Sodium glycochenodeoxycholate
CHEMBL2028607
AKOS025401884
NSC-681056
OK5NH65A9B
EX-A639
AC-26839
CS-0028595
Sodium glycochenodeoxycholate, >=97.0% (TLC)
CHENYLGLYCINE SODIUM

MDL Number

MFCD00036743

Customs Code

2924299090

FAQ

What are the physical and chemical properties of Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 16564-43-5)?

Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate is a white crystalline solid at room temperature. Its molecular weight is approximately 774.9 g/mol. It is slightly soluble in water and stable under normal conditions. This compound is not highly reactive but can undergo hydrolysis under basic conditions. It is often used in pharmaceutical applications due to its chemical stability and solubility properties.

How is Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 16564-43-5) typically synthesized?

Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate is typically synthesized via a multi-step process involving the channolane skeleton formation, subsequent amino acid conjugation, and esterification with acetate. This synthesis often requires the use of a catalyst, such as a metal complex. The yield and selectivity of the reaction can vary depending on the specific conditions and reagents used.

What industries use Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 16564-43-5)?

Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate is primarily used in the pharmaceutical industry for the development of medicinal compounds. It may also have applications in the polymer industry for the modification of polymer properties and in the production of sensors and semiconductors due to its chemical stability and specific functional groups.

What precautions should be taken when handling Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate (CAS: 16564-43-5)?

When handling Sodium {[(3alpha,5beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}acetate, it is important to wear appropriate personal protective equipment (PPE), such as gloves and eye protection. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly flushed with water. Additionally, always refer to the Safety Data Sheet (SDS) for specific handling and emergency procedures.