Cotinine N-(4-Deoxy-4,5-didehydro)-Beta-D-glucuronide

Analyte Name

Cotinine-N-(4-deoxy-4,5-didehydro)-beta-d-glucuronide

CAS Number

146275-15-2

Molecular Formula

C16 H18 N2 O6

Molecular Weight

334.32

Accurate Mass

334.1165

SMILES

CN1C[C@@H](CC1=O)c2ccc[n+](c2)[C@@H]3OC(=C[C@H](O)[C@H]3O)C(=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-17-7-10(5-13(17)20)9-3-2-4-18(8-9)15-14(21)11(19)6-12(24-15)16(22)23/h2-4,6,8,10-11,14-15,19,21H,5,7H2,1H3/t10-,11+,14-,15-/m1/s1

IUPAC

(2R,3R,4S)-3,4-dihydroxy-2-[3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat