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Taurocholic Acid-[d4]

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General Information
Catalog: BLP-012116
CAS: 252030-90-3
Molecular Formula: C26H41D4NO7S
Molecular Weight: 519.72

Chemical Structure

Description	Taurocholic Acid-[d4] is the labelled analogue of Taurocholic acid. Taurocholic acid is a bile acid produced from the conjugation of cholic acid with taurine. It can be used as a cholagogue and choleretic.
Synonyms	Taurocholic Acid D4
IUPAC Name	2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-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	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
InChI Key	WBWWGRHZICKQGZ-VEQOTJGJSA-N
Melting Point	177-180°C
Density	1.3±0.1 g/cm3
Appearance	White to Off-White Solid
Application	Choleretic; Also used as a method for the quantitation of conjugated bile acids in dried blood spots using electrospray ionization-mass spectrometry.
Storage	Store at -20°C