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Taurolithocholic Acid-d5 Sodium Salt (Major), TRC

Product Code. 30414547
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Product Code. 30414547 Supplier Toronto Research Chemicals Supplier No. TRCT0091021MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material Taurolithocholic Acid-d5 Sodium Salt
CAS 1265476-97-8
Purity Grade Notes HPLC
Molecular Formula C26H39D5NNaO5S
Quantity 1 mg
Synonym 2-[[(3α,5β)-3-Hydroxy-24-oxocholan-24-yl-2,2,3,4,4-d5]amino]ethanesulfonic acid sodium salt, Taurolithocholic acid-d5 sodium salt, Taurolithocholic acid D5 sodium salt (3α-hydroxy-5β-cholane-2,2,3,4,4-D5), 2-[[(3α,5β)-3-Hydroxy-24-oxo-2,2,3,4,4-d5-cholan-24-yl]amino]ethanesulfonic acid sodium salt, 3α-Hydroxy-2,2,3,4,4-d5-5β-cholanoyltaurine sodium, 3α-Hydroxy-N-(2-sulfoethyl)-5β-cholan-24-amide-2,2,3,4,4-d5 sodium salt, Lithocholyltaurine-d5 sodium
InChI Formula 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/i10D2,16D2,19D;
SMILES [Na+].[2H]C1([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)NCCS(=O)(=O)[O-]
IUPAC Name sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
Molecular Weight (g/mol) 510.72
Formula Weight 510.3152
Percent Purity >95
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