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Taurolithocholic Acid-[d8]

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General Information
Catalog: BLP-004543
Molecular Formula: C26H37D8NO5S
Molecular Weight: 491.80

Chemical Structure

Description	Taurolithocholic Acid-[d8] is a stable isotope form of Taurolithocholic Acid, which is a bile salt formed in the liver from lithocholic acid conjugation with taurine. Taurolithocholic Acid solubilizes fats for absorption and is itself absorbed. It is a cholagogue and choleretic.
IUPAC Name	1,1,2,2-tetradeuterio-2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Related CAS	516-90-5 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI	InChI=1S/C26H45NO5S/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)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1/i10D2,14D2,15D2,16D2
InChI Key	QBYUNVOYXHFVKC-IIOTUQJISA-N
Purity	>98%