Analyte Name

Nicotine-N-beta-glucuronide

CAS Number

153536-53-9

Molecular Formula

C16 H22 N2 O6

Molecular Weight

338.36

Accurate Mass

338.1478

SMILES

CN1CCC[C@H]1c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/t10-,11-,12-,13+,14-,15+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Nicotine

Purity

>95% (HPLC)