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Taurolithocholic Acid-[d4] Sodium Salt

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Catalog NO.	BPG-3241
Product Name	Taurolithocholic Acid-[d4] Sodium Salt
CAS	2410279-97-7
Molecular Formula	C26H40D4NNaO5S
Molecular Weight	509.71

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Synonyms	Taurolithocholic Acid-2,2,4,4-d4 Sodium Salt
IUPAC Name	sodium 2-((R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl-2,2,4,4-d4)pentanamido)ethane-1-sulfonate
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
InChI	InChI=1S/C26H45NO5S.Na/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);/q;+1/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-;/m1./s1/i10D2,16D2;
InChIKey	YAERYJYXPRIDTO-WRXPQEKCSA-M
Purity	98% by CP; 98% atom D
Related CAS	6042-32-6 (unlabelled)
Shelf Life	1 Year
Storage	Store at -20°C
Exact Mass	509.31
Hygroscopic	No
Light Sensitive	No
Percent Composition	C 61.27%, H 9.49%, N 2.75%, Na 4.51%, O 15.69%. S 6.29%

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