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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.

Boceprevir Metabolite M4 Methyl Ester-[d9]

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General Information
Catalog: BLP-003487
CAS: 1373318-83-2
Molecular Formula: C20H26D9N3O4
Molecular Weight: 390.57
Chemical Structure
Boceprevir Metabolite M4 Methyl Ester-[d9]
Description Boceprevir Metabolite M4 Methyl Ester-[d9] is a labelled metabolite of the Hepatitis C virus NS3 serine protease inhibitor Boceprevir.
Synonyms Boceprevir Metabolite M4-d9 Methyl Ester; (1R,2S,5S)-methyl 3-((S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate-d9
IUPAC Name methyl (1R,2S,5S)-3-[(2S)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
Related CAS 394735-27-4 (unlabelled) 1158083-48-7 (Boceprevir Metabolite M4 Methyl Ester-[d18])
Canonical SMILES CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)OC)C
InChI InChI=1S/C20H35N3O4/c1-18(2,3)14(21-17(26)22-19(4,5)6)15(24)23-10-11-12(20(11,7)8)13(23)16(25)27-9/h11-14H,10H2,1-9H3,(H2,21,22,26)/t11-,12-,13-,14+/m0/s1/i4D3,5D3,6D3
InChI Key BOAWSIPWPIUQLQ-XEEUUKSTSA-N
Solubility Soluble in Dichloromethane, Ethyl Acetate, Methanol
Appearance White Foam
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