Name: Sodium taurodeoxycholate-[2,2,4,4,11,11-d6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-008644

Molecular Formula: C26H38D6NO6S

Molecular Weight: 527.72

Chemical Structure

Description	Labelled Sodium taurodeoxylate. Sodium taurodeoxylate is a natural compound from Animal biles.
Synonyms	Taurodeoxycholic Acid-d6 Sodium Salt; Sodium deoxytaurocholate-2,2,4,4,11,11-d6; Taurodeoxycholic-2,2,4,4,11,11-d6 acid sodium salt
IUPAC Name	sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4,11,11-hexadeuterio-3,12-dihydroxy-10,13-dimethyl-1,3,5,6,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
Related CAS	1180-95-6 (unlabelled) 207737-97-1 (unlabelled hydrate) 516-50-7 (unlabelled free acid)
Canonical SMILES	CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]
InChI	InChI=1S/C26H45NO6S.Na/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);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22?,23+,25+,26-;/m1./s1/i10D2,14D2,15D2;
InChI Key	YXHRQQJFKOHLAP-ICUITNDWSA-M
Purity	≥98%; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance	Off-white Solid
Storage	Store at 2-8°C