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CHEBI:50358 - pantoprazole(1−)

ChEBI IDCHEBI:50358
ChEBI Namepantoprazole(1−)
Stars
ASCII Namepantoprazole(1-)
Last Modified24 November 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaC16H14F2N3O4S
Net Charge-1
Average Mass382.368
Monoisotopic Mass382.06786
SMILESCOc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
InChIInChI=1S/C16H14F2N3O4S/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/q-1
InChIKeyHEYBXKVTQOEUTP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pantoprazole(1−) (CHEBI:50358) is a benzimidazoles (CHEBI:22715)
pantoprazole(1−) (CHEBI:50358) is conjugate base of pantoprazole (CHEBI:7915)
Incoming Relation(s)
pantoprazole sodium (CHEBI:50270) has part pantoprazole(1−) (CHEBI:50358)
pantoprazole (CHEBI:7915) is conjugate acid of pantoprazole(1−) (CHEBI:50358)
IUPAC Name 
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide
Registry NumbersSources
Beilstein:5363425Beilstein