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COA COO

Taurochenodeoxycholic-2,2,4,4-d4 Acid Sodium Salt

Impurity
Stable Isotope Labeled

CAS Number

2410279-85-3

Molecular Formula

C26H40D4NO6S.Na

Product format

Neat

Molecular Weight

502.72 22.99

API Family

Chenodeoxycholic Acid

Synonyms

2-((R)-4-((3R, 5S, 7R, 8R, 9S, 10S, 13R, 14S, 17R)-3, 7-dihydroxy-10, 13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2, 2, 4, 4-d4)pentanamido)ethane-1-sulfonate and sodium salt (1:1)

Iupac Name

sodium 2-[[(4R)-4-[(3R, 5S, 7R, 8R, 9S, 10S, 13R, 14S, 17R)-2, 2, 4, 4-tetradeuterio-3, 7-dihydroxy-10, 13-dimethyl-3, 5, 6, 7, 8, 9, 11, 12, 14, 15, 16 and 17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

InChI

InChI=1S/C26H45NO6S.Na/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);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1/i8D2,14D2;

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COA COO

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3-4 weeks

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Synthesis

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