Taurolithocholic acid 3-sulfate

Base Information

Chemical Name:Taurolithocholic acid 3-sulfate
CAS No.:15324-65-9
Molecular Formula:C₂₆H₄₅NO₈S₂
Molecular Weight:563.777
Hs Code.:
DSSTox Substance ID:DTXSID00934710
Nikkaji Number:J682.199E
Wikidata:Q27102671
Metabolomics Workbench ID:36948
ChEMBL ID:CHEMBL270493
Mol file:15324-65-9.mol

Synonyms:(3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate;3alpha-sulfatolithocholyltaurine;SLCT-3-sulfate;taurolithocholate 3-sulfate;taurolithocholic acid 3-sulfate;TLC-S

Suppliers and Price of Taurolithocholic acid 3-sulfate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 17 raw suppliers

Chemical Property of Taurolithocholic acid 3-sulfate

Chemical Property:

PSA：167.32000
Density:1.31g/cm³
LogP:7.25550
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:563.25865974
Heavy Atom Count:37
Complexity:1050

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C
Isomeric SMILES:C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C
Uses Taurolithocholic Acid Sulfate is a metabolite of bile acids. Sulfation is a major metabolic pathway involved in the elimination and detoxification of bile acids (BAs).

Technology Process of Taurolithocholic acid 3-sulfate

There total 2 articles about Taurolithocholic acid 3-sulfate 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: