Cotinine N-Beta-D-Glucuronide
Product Specifications
CAS Number
139427-57-9
Synonyms
Pyridinium, 1-β-D-glucopyranuronosyl-3-[(2S)-1-methyl-5-oxo-2-pyrrolidinyl]-, inner salt; Pyridinium, 1-β-D-glucopyranuronosyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)-; Cotinine-N-glucuronide; Cotinine N-β-D-Glucuronide
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CN1C[C@@H](CC1=O)c2ccc[n+](c2)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]
Molecular Formula
C16 H20 N2 O7
Molecular Weight
352.34
InChI
InChI=1S/C16H20N2O7/c1-17-6-9(5-10(17)19)8-3-2-4-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24/h2-4,7,9,11-15,20-22H,5-6H2,1H3/t9-,11+,12+,13-,14+,15-/m1/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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