CHEBI:63840 - 5'-hydroxyomeprazole

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ChEBI Name 5'-hydroxyomeprazole
ChEBI ID CHEBI:63840
Definition A sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H19N3O4S
Net Charge 0
Average Mass 361.41500
Monoisotopic Mass 361.110
InChI InChI=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)
InChIKey CMZHQFXXAAIBKE-UHFFFAOYSA-N
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(CO)c(OC)c1C
Roles Classification
Biological Role(s): drug metabolite

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ChEBI Ontology
Outgoing 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 Sources
5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole ChemIDplus
Hydroxyomeprazole ChemIDplus
Registry Numbers Types Sources
8439890 Reaxys Registry Number Reaxys
92340-57-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19166730 PubMed citation Europe PMC
21546194 PubMed citation Europe PMC
7781266 PubMed citation Europe PMC
8550990 PubMed citation Europe PMC
9916309 PubMed citation Europe PMC
Last Modified
07 February 2012