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Taurochenodeoxycholic Acid-[d4] Sodium Salt

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General Information
Catalog: BLP-006723
CAS: 2410207-85-3
Molecular Formula: C26H40D4NO6SNa
Molecular Weight: 525.7

Chemical Structure

Synonyms	Taurochenodeoxycholic Acid-2,2,4,4-d4 Sodium Salt
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-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
Related CAS	6009-98-9 (unlabelled)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]
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;
InChI Key	IYPNVUSIMGAJFC-SWZNJHJNSA-M
Purity	97% by CP; 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	White to Light Beige Solid
Storage	Store at -20°C, Under inert atmosphere