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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H19N3O4S Net Charge 0 Average Mass 361.41500 Monoisotopic Mass 361.10963 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 View more via ChEBI Ontology 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 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