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Taurocholic acid

Base Information Edit
  • Chemical Name:Taurocholic acid
  • CAS No.:81-24-3
  • Deprecated CAS:113341-22-3,54366-16-4,83830-80-2
  • Molecular Formula:C26H45 N O7 S
  • Molecular Weight:515.712
  • Hs Code.:
  • European Community (EC) Number:201-336-2,804-788-4
  • NSC Number:25505
  • UNII:5E090O0G3Z
  • DSSTox Substance ID:DTXSID00883259
  • Nikkaji Number:J8.603G
  • Wikipedia:Taurocholic_acid
  • Wikidata:Q2659931
  • Metabolomics Workbench ID:36987
  • ChEMBL ID:CHEMBL224867
  • Mol file:81-24-3.mol
Taurocholic acid

Synonyms:Cholyltaurine;Sodium Taurocholate;Taurine Cholate;Taurocholate;Taurocholate Sodium;Taurocholate, Sodium;Taurocholic Acid;Taurocholic Acid, (5 alpha)-Isomer;Taurocholic Acid, (7 beta)-Isomer;Taurocholic Acid, Monolithium Salt;Taurocholic Acid, Monosodium Salt

Suppliers and Price of Taurocholic acid
Supply Marketing:Edit
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
  • TRC
  • TaurocholicAcid
  • 250mg
  • $ 295.00
  • TRC
  • TaurocholicAcid
  • 100mg
  • $ 145.00
  • American Custom Chemicals Corporation
  • TAUROCHOLIC ACID 95.00%
  • 5MG
  • $ 505.20
Total 35 raw suppliers
Chemical Property of Taurocholic acid Edit
Chemical Property:
  • Melting Point:1.264 g/cm3 
  • Refractive Index:1.565 
  • PKA:1.4(at 25℃) 
  • PSA:152.54000 
  • Density:1.0902 (rough estimate) 
  • LogP:3.83980 
  • Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere 
  • Solubility.:Ethanol (Slightly), Methanol (Slightly) 
  • XLogP3:2.2
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:7
  • Exact Mass:515.29167395
  • Heavy Atom Count:35
  • Complexity:891
Purity/Quality:

99%, *data from raw suppliers

TaurocholicAcid *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)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)O)C)O)O)C
  • Uses Taurocholic Acid is a choleretic steroid useful for the quantification of conjugated bile acids. anti-inflammatory
Technology Process of Taurocholic acid

There total 18 articles about Taurocholic acid 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:
Guidance literature:
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; In tetrahydrofuran; water; for 0.166667h; microwave irradiation;
DOI:10.1016/j.steroids.2004.09.007
Guidance literature:
Multi-step reaction with 2 steps
1: 98 percent / KOH / methanol; H2O / 0.1 h / microwave irradiation
2: 58 percent / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride / DMAP / tetrahydrofuran; H2O / 0.17 h / microwave irradiation
With potassium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; In tetrahydrofuran; methanol; water;
DOI:10.1016/j.steroids.2004.09.007
Guidance literature:
Multi-step reaction with 2 steps
1: 94 percent / KOH / methanol; H2O / 0.13 h / microwave irradiation
2: 58 percent / N'-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride / DMAP / tetrahydrofuran; H2O / 0.17 h / microwave irradiation
With potassium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; In tetrahydrofuran; methanol; water;
DOI:10.1016/j.steroids.2004.09.007
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