N’-Nitrosonornicotine N-Beta-D-Glucuronide (Mixture Of Diastereomers) X Hydrate
Product Specifications
Synonyms
Pyridinium, 1-β-D-glucopyranuronosyl-3-(1-nitroso-2-pyrrolidinyl)-, inner salt, stereoisomer (9CI); N'-Nitrosonornicotine N-β-D-Glucuronide
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O.O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)[n+]2cccc(c2)[C@@H]3CCCN3N=O)C(=O)[O-]
Molecular Formula
C15 H19 N3 O7 . H2 O
Molecular Weight
371.34
InChI
InChI=1S/C15H19N3O7.H2O/c19-10-11(20)13(15(22)23)25-14(12(10)21)17-5-1-3-8(7-17)9-4-2-6-18(9)16-24;/h1,3,5,7,9-14,19-21H,2,4,6H2;1H2/t9-,10-,11-,12+,13-,14+;/m0./s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
CAS Number
350508-25-7
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