Boceprevir Metabolite M4-d9 Methyl Ester
Product Code
TRC-B674517
CAS Number
Product Format
Neat
Molecular Formula
C20 2H9 H26 N3 O4
Molecular Weight
390.57
Product Categories
TRC, Enzyme inhibitors, Anti-Hepatitis agents, Antivirals and antiretrovirals, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Unlabelled CAS Number
Product Information
Chemical Data
Analyte Name
Boceprevir metabolite M4 tert-butyl-d9 methyl ester
CAS Number
1158083-48-7
Molecular Formula
C20 2H9 H26 N3 O4
Molecular Weight
390.57
Accurate Mass
390.3192
SMILES
[2H]C([2H])([2H])C(NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
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
IUPAC
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
Unlabelled CAS Number
394735-27-4
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Neat
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