Sodium taurochenodeoxycholate

Catalog NumberBL-M000516
CAS Number6009-98-9
DescriptionSodium taurochenodeoxycholate is a steroid with anti-inflammatory activity. Sodium taurochenodeoxycholate is a bile acid that can be used as an anionic detergent.
IUPAC Namesodium;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
SynonymsTaurochenodeoxycholic acid (sodium salt); Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1); 3α,7α-Dihydroxy-5β-cholan-24-oic acid N-(2-sulfoethyl)amide sodium salt
Molecular Weight521.69
Molecular FormulaC26H44NNaO6S
Purity98%
SolubilitySoluble in Methanol (Slightly), Water (Slightly)
AppearanceWhite to Off-white Solid
ApplicationAntiviral Agents
Shelf Life1 Year
StorageStore at -20°C
Percent CompositionC 59.86%, H 8.50%, N 2.68%, Na 4.41%, O 18.40%, S 6.15%
Canonical SMILESCC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
InChIInChI=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
InChI KeyIYPNVUSIMGAJFC-HLEJRKHJSA-M

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