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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.

Tauro-obeticholic acid-[d4]

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General Information
Catalog: BLP-004545
Molecular Formula: C28H45D4NO6S
Molecular Weight: 531.78
Chemical Structure
Tauro-obeticholic acid-[d4]
Description Isotopic labelled Tauro-obeticholic acid is an active metabolite of obeticholic acid, a farnesoid X receptor (FXR) agonist.
Synonyms 2-[(4R)-4-[(1S,2R,5R,7S,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyl(4,4,6,6-D4)tetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
IUPAC Name 2-[[(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-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]ethanesulfonic acid
Related CAS 863239-61-6 (unlabelled)
Canonical SMILES CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)NCCS(=O)(=O)O)C)C)O
InChI InChI=1S/C28H49NO6S/c1-5-19-23-16-18(30)10-12-28(23,4)22-11-13-27(3)20(7-8-21(27)25(22)26(19)32)17(2)6-9-24(31)29-14-15-36(33,34)35/h17-23,25-26,30,32H,5-16H2,1-4H3,(H,29,31)(H,33,34,35)/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1/i10D2,16D2
InChI Key JEZXQTZLWHAKAC-XTTRJDEZSA-N
Purity >98%
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