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