Tauroglycocholic acid, sodium salt

Base Information

• Chemical Name: Tauroglycocholic acid, sodium salt
• CAS No.: 41945-48-6
• Molecular Formula: C28H47N2NaO8S
• Molecular Weight: 594.74
• Hs Code.: 2918290000
• European Community (EC) Number: 234-243-0
• DSSTox Substance ID: DTXSID20911482
• Mol file: 41945-48-6.mol

Synonyms:sodium tauroglycocholate;tauroglycocholic acid

Chemical Property of Tauroglycocholic acid, sodium salt

Chemical Property:

• PSA: 184.47000
• LogP: 3.00430
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 595.30290695
• Heavy Atom Count: 40
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

SodiumGlycotaurocholate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na]
• Isomeric SMILES: C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na]
• Uses: Sodium Glycotaurocholate, is an inhibitor of the biliary acid transporting system of the hepatocyte. It’s also used as a surfactant used as a chemical permeation enhancer.