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Application Area
Environmental
Environmental

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

Clinical diagnostic
Clinical diagnostic

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

Organic Chemistry
Organic Chemistry

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.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Taurocholic Acid-[d4]

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General Information
Catalog: BLP-012116
CAS: 252030-90-3
Molecular Formula: C26H41D4NO7S
Molecular Weight: 519.72
Chemical Structure
Taurocholic Acid-[d4]
Description Taurocholic Acid-[d4] is the labelled analogue of Taurocholic acid. Taurocholic acid is a bile acid produced from the conjugation of cholic acid with taurine. It can be used as a cholagogue and choleretic.
Synonyms Taurocholic Acid D4
IUPAC Name 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Related CAS 81-24-3 (unlabelled)
Canonical SMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i8D2,12D2
InChI Key WBWWGRHZICKQGZ-VEQOTJGJSA-N
Melting Point 177-180°C
Density 1.3±0.1 g/cm3
Appearance White to Off-White Solid
Application Choleretic; Also used as a method for the quantitation of conjugated bile acids in dried blood spots using electrospray ionization-mass spectrometry.
Storage Store at -20°C
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