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Taurocholic acid-[d5]

General Information
Catalog: BLP-004537
CAS: 2044276-13-1
Molecular Formula: C26H40D5NO7S
Molecular Weight: 520.73
Chemical Structure
Taurocholic acid-[d5]
Description Labelled analogue of Taurocholic acid. Taurocholic acid is a choleretic steroid produced from the conjugation of cholic acid with taurine. It can be used as a cholagogue and cholerectic.
Synonyms 2-​[[(3α,​5β,​7α,​12α)​-​3,​7,​12-​trihydroxy-​24-​oxocholan-​24-​yl-​2,​2,​3,​4,​4-​d5]​amino]​-Ethanesulfonic acid; Taurocholic-2,2,3,4,4-D5 acid
IUPAC Name 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Related CAS 81-24-3 (unlabelled)
Canonical SMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i8D2,12D2,17D
InChI Key WBWWGRHZICKQGZ-DXDDMVLESA-N
Purity >98%

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