Taurolithocholic Acid Sodium Salt
Product Code
TRC-T009100
CAS Number
Product Format
Neat
Molecular Formula
C26 H44 N O5 S . Na
Molecular Weight
505.69
Product Categories
TRC, Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology reference materials, Detergents, Additional pharmaceutical toxicology research materials, Acetylcholine Receptors, Neurotransmission, Memory, Learning and Cognition, Nociception, Parkinson's, Schizophrenia, Pain and Inflammation
Product Type
MetaboliteAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Taurolithocholic Acid Sodium Salt
CAS Number
6042-32-6
Molecular Formula
C26 H44 N O5 S . Na
Molecular Weight
505.69
Accurate Mass
505.2838
SMILES
[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1
IUPAC
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonate
Alternate CAS Number
Free acid: 516-90-5
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)
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