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Chemical structure of Omeprazole N-oxide

GC49780

Omeprazole N-oxide

Also known as 6-methoxy-2-[(4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methylsulfinyl]-1H-benzimidazole

A metabolite of omeprazole

ChemicalCAS176219-04-8MW361.4FormulaC17H19N3O4S
CAS number
176219-04-8
Molecular weight
361.4
Formula
C17H19N3O4S
Solubility
DMF： insol,DMSO： 1 mg/ml,Ethanol： insol,PBS (pH 7·2)： insol
InChIKey
QZVDQETYNOBUPJ-UHFFFAOYSA-N
Catalogue number
GC49780
Brand
GLPBIO
Computed properties PubChem CID 10992053 · XLogP 1.2 · TPSA 109 Ų · H-bond donors 1
XLogP
1.2
TPSA
109 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES CC1=C[N+](=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]

Computed descriptors from PubChem (CID 10992053), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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