Nicotine N-Beta-D-Glucuronide
Product Specifications
CAS Number
153536-53-9
Synonyms
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-2-pyrrolidinyl]-, inner salt; Pyridinium, 1-β-D-glucopyranuronosyl-3-(1-methyl-2-pyrrolidinyl)-, inner salt, (S)-; Nicotine N-glucuronide; Nicotine N-β-D-Glucuronide
Hazard Statement
Toxic if swallowed; UN number: UN1655; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN1CCC[C@H]1c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]
Molecular Formula
C16 H22 N2 O6
Molecular Weight
338.36
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
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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