Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)

Base Information

• Chemical Name: Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
• CAS No.: 16409-34-0
• Molecular Formula: C26H42NNaO5
• Molecular Weight: 471.613
• Hs Code.: 29221990
• DSSTox Substance ID: DTXSID30936904
• Mol file: 16409-34-0.mol

Synonyms:Sodium glycodeoxycholate;Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1);SCHEMBL16703960;DTXSID30936904;s6091;Sodium glycodeoxycholate, BioXtra, >=97% (TLC);N-(3,12,24-Trihydroxycholan-24-ylidene)glycine--sodium (1/1)

Chemical Property of Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)

Chemical Property:

• Vapor Pressure: 5.74E-20mmHg at 25°C
• Melting Point: 245-250 °C
• Boiling Point: 655.6oC at 760 mmHg
• Flash Point: 350.3oC
• PSA: 109.69000
• LogP: 2.65030
• Storage Temp.: -20°C
• Solubility.: H2O: 0.1 M at 20 °C, clear, colorless
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 472.30389275
• Heavy Atom Count: 33
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

Glycodeoxycholic acid sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na]
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na]
• Description: Sodium deoxyglycolic acid is a kind of bile salt, and exists in bile in the form of combining with glycine or taurine to form glycodeoxycholic acid or sodium taurodeoxycholate. It is cholanoic acid that forms many organic compounds and stable molecular compounds.
• Physical properties: Solid
• Uses: Sodium glycodeoxycholate has been used in a study to develop more similar mimetic intestinal fluids to physiological fluids than those developed by mixed bile salt systems (MBS). It has also been used in a study to investigate Ca2+ buffering capability of bile salt micelles.

Technology Process of Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)

There total 1 articles about Glycine, N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

Deoxycholic acid (83-44-3) + glycine (56-40-6,18875-39-3,25718-94-9) → sodium glycodeoxycholate (16409-34-0)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide; In water; dimethyl sulfoxide; acetonitrile; tert-butyl alcohol; at 20 - 80 ℃;

DOI:10.1039/c2ob25528f

Reference yield:

sodium glycodeoxycholate (16409-34-0) → Deoxycholic acid (83-44-3) + glycine (56-40-6,18875-39-3,25718-94-9)

Guidance literature:

With ethylenediaminetetraacetic acid; chloylglycine hydrolase; 2-hydroxyethanethiol; In phosphate buffer; at 20 ℃; for 0.333333h; pH=8;

DOI:10.1016/j.steroids.2005.10.002

upstream raw materials:

Deoxycholic acid

glycine

Downstream raw materials:

Deoxycholic acid

glycine

Refernces