Taurocholic acid 3-sulfate

Base Information

Chemical Name:Taurocholic acid 3-sulfate
CAS No.:67030-62-0
Molecular Formula:C26H45NO10S2
Molecular Weight:595.77
Hs Code.:
DSSTox Substance ID:DTXSID501311227
Metabolomics Workbench ID:36971
Nikkaji Number:J682.202I
Wikidata:Q76423826
Mol file:67030-62-0.mol

Synonyms:Taurocholic acid 3-sulfate;67030-62-0;Taurocholate 3-sulfate;2-[[(3a,5b,7a,12a)-7,12-dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino]-ethanesulfonic acid;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;3-Sulfocholyl Taurine;CHEBI:166740;DTXSID501311227;ST 24:1;O5;T;S;LMST05020031;PD017017;N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate;N-(3alpha-sulfooxy-7alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)-taurine;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulonic acid

Suppliers and Price of Taurocholic 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
Packaging
price

Cayman Chemical
Taurocholic Acid 3-sulfate ≥95%
10mg
$ 406.00

Cayman Chemical
Taurocholic Acid 3-sulfate ≥95%
5mg
$ 232.00

Cayman Chemical
Taurocholic Acid 3-sulfate ≥95%
1mg
$ 55.00

Cayman Chemical
Taurocholic Acid 3-sulfate ≥95%
500μg
$ 29.00

Total 2 raw suppliers

Chemical Property of Taurocholic acid 3-sulfate

Chemical Property:

PSA：204.29000
Density:1.4g/cm³
LogP:4.74770
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:595.24848898
Heavy Atom Count:39
Complexity:1120

Purity/Quality:

99% ^*data from raw suppliers

Taurocholic Acid 3-sulfate ≥95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)O)C
Isomeric SMILES:C[C@H](CCC(=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)OS(=O)(=O)O)C)O)O)C

Technology Process of Taurocholic acid 3-sulfate

There total 1 articles about Taurocholic 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: