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Chemical structure of Omeprazole sulfone

GC11155

Omeprazole sulfone

Also known as 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfonyl]-1H-benzimidazole

Omeprazole sulfone is a metabolite of Omeprazole, which is a proton pump inhibitor

ChemicalCAS88546-55-8MW361.4FormulaC17H19N3O4S
CAS number
88546-55-8
Molecular weight
361.4
Formula
C17H19N3O4S
Solubility
≤5mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
IXEQEYRTSRFZEO-UHFFFAOYSA-N
Catalogue number
GC11155
Brand
GLPBIO
Computed properties PubChem CID 145900 · XLogP 2.2 · TPSA 103 Ų · H-bond donors 1
XLogP
2.2
TPSA
103 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

SMILES CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC

Computed descriptors from PubChem (CID 145900), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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