Omeprazole sulfone (CHEBI:166518)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Omeprazole sulfone

ChEBI ID	CHEBI:166518

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H19N3O4S

Net Charge

Average Mass

361.420

Monoisotopic Mass

361.10963

InChI

InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

InChIKey

IXEQEYRTSRFZEO-UHFFFAOYSA-N

SMILES

S(=O)(=O)(CC1=NC=C(C(OC)=C1C)C)C=2NC3=C(N2)C=CC(OC)=C3

ChEBI Ontology
Outgoing	Omeprazole sulfone (CHEBI:166518) is a benzimidazoles (CHEBI:22715) Omeprazole sulfone (CHEBI:166518) is a sulfoxide (CHEBI:22063)

IUPAC Name

6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulonyl]-1H-benzimidazole

Registry Number	Type	Source
88546-55-8	CAS Registry Number	ChemIDplus