N’-Nitrosonornicotine N-Beta-D-Glucuronide (Mixture Of Diastereomers) X Hydrate

• Synonyms:

  Pyridinium, 1-β-D-glucopyranuronosyl-3-(1-nitroso-2-pyrrolidinyl)-, inner salt, stereoisomer (9CI); N'-Nitrosonornicotine N-β-D-Glucuronide

• CAS Number:

  350508-25-7

• 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