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

Bardoxolone methyl-[13C2,d3,15N]

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General Information
Catalog: BLP-003391
Molecular Formula: C30[13C]2H40D3[15N]O4
Molecular Weight: 511.69
Chemical Structure
Bardoxolone methyl-[13C2,d3,15N]
Description Bardoxolone methyl-[13C2,d3,15N] is a labelled Bardoxolone methyl. Bardoxolone methyl (also known as ''RTA 402'' and ''CDDO-methyl ester'') is an orally-available first-in-class synthetic triterpenoid belonging to the antioxidant inflammation modulator (AIM) class. It is the most potent known inducer of the Nrf2 pathway to enter clinical development and works to suppress both oxidative stress and inflammation.
Synonyms (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-tert-butyl 11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicene-4a-carboxylate 13C2-d3-15N
IUPAC Name trideuterio(1-13C)methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-((15N)azanylidyne(1-13C)methyl)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
Related CAS 218600-53-4 (unlabelled)
Canonical SMILES CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C
InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1/i8+1D3,18+1,33+1
InChI Key WPTTVJLTNAWYAO-QJEBEUOSSA-N
Purity > 98%
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