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CHEBI:63840 - 5'-hydroxyomeprazole

Default Structure
ChEBI IDCHEBI:63840
ChEBI Name5'-hydroxyomeprazole
Stars
DefinitionA sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
Last Modified7 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC17H19N3O4S
Net Charge0
Average Mass361.423
Monoisotopic Mass361.10963
SMILESCOc1ccc2nc(S(=O)Cc3ncc(CO)c(OC)c3C)nc2c1
InChIInChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKeyCMZHQFXXAAIBKE-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
5'-hydroxyomeprazole (CHEBI:63840) has functional parent omeprazole (CHEBI:7772)
5'-hydroxyomeprazole (CHEBI:63840) has role drug metabolite (CHEBI:49103)
5'-hydroxyomeprazole (CHEBI:63840) is a aromatic ether (CHEBI:35618)
5'-hydroxyomeprazole (CHEBI:63840) is a benzimidazoles (CHEBI:22715)
5'-hydroxyomeprazole (CHEBI:63840) is a pyridines (CHEBI:26421)
5'-hydroxyomeprazole (CHEBI:63840) is a sulfoxide (CHEBI:22063)
IUPAC Name 
(4-methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol
Synonyms  Source
5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazoleChemIDplus
HydroxyomeprazoleChemIDplus
Registry NumbersSources
Reaxys:8439890Reaxys
CAS:92340-57-3ChemIDplus
Citations