CHEBI:77260 - 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole

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ChEBI Name 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
ChEBI ID CHEBI:77260
ChEBI ASCII Name 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
Definition A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H19N3O3S
Net Charge 0
Average Mass 345.41600
Monoisotopic Mass 345.115
InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey SUBDBMMJDZJVOS-UHFFFAOYSA-N
SMILES COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(C)c(OC)c1C
ChEBI Ontology
Outgoing 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260) is a aromatic ether (CHEBI:35618)
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260) is a benzimidazoles (CHEBI:22715)
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260) is a pyridines (CHEBI:26421)
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260) is a sulfoxide (CHEBI:22063)
Incoming (R)-omeprazole (CHEBI:77262) is a 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260)
esomeprazole (CHEBI:50275) is a 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole (CHEBI:77260)
IUPAC Name
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
Database Links Databases
C07324 KEGG COMPOUND
D00455 KEGG DRUG
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Registry Number Type Source
73590-58-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014
General Comment
2014-02-06 This entry is that with unspecified stereochemistry. There are separate entries for the racemate (omeprazole) and for the individual enantiomers.