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CHEBI:166518 - Omeprazole sulfone

ChEBI IDCHEBI:166518
ChEBI NameOmeprazole sulfone
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SubmitterMetaboLights
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FormulaC17H19N3O4S
Net Charge0
Average Mass361.423
Monoisotopic Mass361.10963
SMILESCOc1ccc2nc(S(=O)(=O)Cc3ncc(C)c(OC)c3C)nc2c1
InChIInChI=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)
InChIKeyIXEQEYRTSRFZEO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
128709ChemSpider
HMDB0014012HMDB
Registry NumbersSources
CAS:88546-55-8ChemIDplus