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Tauroursodeoxycholic Acid-[d5]

General Information
Catalog: BLP-004547
CAS: 1207294-25-4
Molecular Formula: C26H40D5NO6S
Molecular Weight: 504.73
Chemical Structure
Tauroursodeoxycholic Acid-[d5]
Description Tauroursodeoxycholic acid-[d5] is a labelled compound of Tauroursodeoxycholic acid. Tauroursodeoxycholic acid is a Detergent useful for the solubilization of lipids and membrane-bound proteins and inhibits human cholangiocarcinoma growth via Ca2+-, PKC-, and MAPK-dependent pathways.
Synonyms 2-[[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic-d5 Acid; 3α,7β-Dihydroxy-5β-cholan-24-oic Acid N-(2-Sulfoethyl)amide-d5; Ursodeoxycholyltaurine-d5
IUPAC Name 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-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 14605-22-2 (unlabelled)
Canonical SMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1/i8D2,14D2,18D
InChI Key BHTRKEVKTKCXOH-UYRINQEQSA-N
Melting Point 154-158°C
Solubility Soluble in Methanol
Appearance White to Off-white Solid
Storage Store at -20°C, Under Inert Atmosphere

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