Taurochenodeoxycholic Acid Sodium Salt

Product Specifications

CAS Number

6009-98-9

Synonyms

Ethanesulfonic acid, 2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1); Ethanesulfonic acid, 2-[[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt (9CI); Taurine, N-(3α,7α-dihydroxy-5β-cholan-24-oyl)-, monosodium salt (8CI); Taurochenodeoxycholic acid sodium salt (6CI); NSC 681055; Sodium taurochenodeoxycholate; Sodium taurochenodesoxycholate

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Formula

C26 H44 N O6 S . Na

Molecular Weight

521.69

InChI

InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1

Additionnal Information

IUPAC name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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