CHEBI:50358 - pantoprazole(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pantoprazole(1−)
ChEBI ID CHEBI:50358
ChEBI ASCII Name pantoprazole(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H14F2N3O4S
Net Charge -1
Average Mass 382.36299
Monoisotopic Mass 382.06786
InChI InChI=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
InChIKey HEYBXKVTQOEUTP-UHFFFAOYSA-N
SMILES COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
ChEBI Ontology
Outgoing pantoprazole(1−) (CHEBI:50358) is a benzimidazoles (CHEBI:22715)
pantoprazole(1−) (CHEBI:50358) is conjugate base of pantoprazole (CHEBI:7915)
Incoming 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 Number Type Source
5363425 Beilstein Registry Number Beilstein
Last Modified
24 November 2008