N’-Nitrosonornicotine N-Beta-D-Glucuronide (Mixture Of Diastereomers) X Hydrate
Product Code
TRC-N535010
CAS Number
Product Format
Neat
Molecular Formula
C15 H19 N3 O7 . H2 O
Molecular Weight
371.34
Product Categories
Product Type
MetaboliteAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
N'-Nitrosonornicotine N-beta-D-Glucuronide hydrate
CAS Number
350508-25-7
Molecular Formula
C15 H19 N3 O7 . H2 O
Molecular Weight
371.34
Accurate Mass
371.1329
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-]
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
IUPAC
(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
Alternate CAS Number
864071-82-9; 350508-34-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)
Product Description
A metabolite of N'-Nitrosonornicotine.
References: Caldwell, W.S., et al.: Chem. Res. Toxicol.., 5, 280 (1992), Chiu, S.H., et al.: Drug Metab. Dispos., 26, 838 (1998), Tukey, R., et al.: Annu. Rev. Pharmacol. Toxicol., 40, 581 (2000),