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Taurolithocholic Acid-[d5]

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General Information
Catalog: BLP-004542
CAS: 1265681-64-8
Molecular Formula: C26H40D5NO5S
Molecular Weight: 488.70

Chemical Structure

Description	Taurolithocholic Acid-[d5] 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.
Synonyms	N-(2-Sulfoethyl)-3alpha-hydroxy-(2,2,3,4,4-2H5)-5beta-cholane-24-amide
IUPAC Name	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]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/i10D2,16D2,19D
InChI Key	QBYUNVOYXHFVKC-DLRBFDLYSA-N
Purity	>98%
Solubility	Soluble in DMSO, Ethanol, Methanol
Storage	Store at -20°C