5-Acetoxymethyl-2,3-dimethyl-4-nitropyridine-1-oxide - CAS 120003-74-9

Catalog: BB054836
Product Name: 5-Acetoxymethyl-2,3-dimethyl-4-nitropyridine-1-oxide
CAS: 120003-74-9
Synonyms: 5,6-Dimethyl-4-nitro-3-pyridinemethanol-1-oxide Acetate (ester); 5,6-Dimethyl-4-nitro-3-acetate-3-pyridinemethanol-1-oxide
5-Acetoxymethyl-2,3-dimethyl-4-nitropyridine-1-oxide
IUPAC Name:(5,6-dimethyl-4-nitro-1-oxidopyridin-1-ium-3-yl)methyl acetate
Description:5-Acetoxymethyl-2,3-dimethyl-4-nitropyridine-1-oxide is a reactant used in the synthesis of urinary metabolites of omeprazole (O635000).
Molecular Weight:240.21
Molecular Formula:C10H12N2O5
Canonical SMILES:CC1=C(C(=C[N+](=C1C)[O-])COC(=O)C)[N+](=O)[O-]
InChI:InChI=1S/C10H12N2O5/c1-6-7(2)11(14)4-9(5-17-8(3)13)10(6)12(15)16/h4H,5H2,1-3H3
InChI Key:KZIMQYRTNGYWNL-UHFFFAOYSA-N
References:Renberg, L., et. al. Drug. Metab., Dispos., 17, 69 (1989).

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