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Taurodeoxycholic Acid-[d5]

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General Information
Catalog: BLP-004539
CAS: 2044276-15-3
Molecular Formula: C26H40D5NO6S
Molecular Weight: 504.73

Chemical Structure

Description	Taurodeoxycholic Acid-[d5] is a labelled analogue of Taurodeoxycholic Acid which is an apoptosis inhibitor.
Synonyms	N-(2-Sulfoethyl)-3alpha,12alpha-dihydroxy-(2,2,3,4,4-2H5)-5beta-cholane-24-amide
IUPAC Name	2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,12-dihydroxy-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	516-50-7 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChI	InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1/i10D2,14D2,18D
InChI Key	AWDRATDZQPNJFN-ILYQYKGZSA-N
Purity	≥95%
Solubility	Soluble in Methanol, Water
Appearance	White to Off-white Powder
Storage	Store at -20°C