Ursodeoxycholylglycine sodium

Base Information

• Chemical Name: Ursodeoxycholylglycine sodium
• CAS No.: 92411-07-9
• Molecular Formula: C₂₆H₄₂NO₅*Na
• Molecular Weight: 471.613
• UNII: 2SMU62O28G
• Wikidata: Q27255551
• Mol file: 92411-07-9.mol

Synonyms:Ursodeoxycholylglycine sodium;92411-07-9;UNII-2SMU62O28G;2SMU62O28G;sodium;2-[[(4R)-4-[(3R,5S,7S,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;Sodium glycoursodeoxycholate;SODIUM GLYCOURSODESOXYCHOLATE;GLYCOURSODEOXYCHOLIC ACID, SODIUM SALT;Q27255551;GLYCINE, N-((3.ALPHA.,5.BETA.,7.BETA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)-, MONOSODIUM SALT;GLYCINE, N-((3.ALPHA.,5.BETA.,7.BETA.)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)-, SODIUM SALT (1:1)

Chemical Property of Ursodeoxycholylglycine sodium

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 471.29606772
• Heavy Atom Count: 33
• Complexity: 734

Purity/Quality:

99% ^*data from raw suppliers

GlycoursodeoxycholicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(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(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
• Uses: Glycoursodeoxycholic Acid Sodium Salt, is a metabolite of Ursodeoxycholic Acid, which is used as an anticholelithogenic.