Product Code
TRC-C725178-10MG
Product Format
Neat
Molecular Formula
C16H17D3N2O7
Molecular Weight
355.3
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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Analyte Name
(R)-Cotinine-d3 N-beta-D-Glucuronide
Molecular Formula
C16H17D3N2O7
Molecular Weight
355.3
Accurate Mass
355.15
SMILES
O=C1CC[C@@H](C2=C[N+]([C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C([O-])=O)=CC=C2)N1C([2H])([2H])[2H]
InChI
InChI=1S/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/t9-,11-,12-,13+,14-,15+/m0/s1/i1D3
IUPAC
2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(3-((S)-1-(methyl-d3)-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl)tetrahydro-2H-pyran-2-carboxylate
Unlabelled CAS Number
139427-57-9
SIL Type
Deuterium
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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