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CHEBI:7915 - pantoprazole

ChEBI IDCHEBI:7915
ChEBI Namepantoprazole
Stars
DefinitionA member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.
Last Modified22 February 2017
DownloadsMolfile

FormulaC16H15F2N3O4S
Net Charge0
Average Mass383.376
Monoisotopic Mass383.07513
SMILESCOc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3n2)c1OC
InChIInChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKeyIQPSEEYGBUAQFF-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
INNs  Source
pantoprazoleChemIDplus
pantoprazol  esChemIDplus
pantoprazolum  laChemIDplus
Manual XrefsDatabases
C11806KEGG COMPOUND
DB00213DrugBank
D05353KEGG DRUG
EP166287Patent
US4758579Patent
PantoprazoleWikipedia
HMDB0005017HMDB
LSM-1390LINCS
2054DrugCentral
2958VSDB
Registry NumbersSources
Reaxys:5361474Reaxys
CAS:102625-70-7ChemIDplus
Citations