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Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

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Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

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Sodium taurodeoxycholate-[2,2,4,4,11,11-d6]

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General Information
Catalog: BLP-008644
Molecular Formula: C26H38D6NO6S
Molecular Weight: 527.72
Chemical Structure
Sodium taurodeoxycholate-[2,2,4,4,11,11-d6]
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
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