EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor  An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that inhibits H+/K+-exchanging ATPase, EC 3.6.3.10. Such compounds are also known as proton pump inhibitors.
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
pantoprazole (CHEBI:7915) has role anti-ulcer drug (CHEBI:49201)
pantoprazole (CHEBI:7915) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
pantoprazole (CHEBI:7915) has role environmental contaminant (CHEBI:78298)
pantoprazole (CHEBI:7915) has role xenobiotic (CHEBI:35703)
pantoprazole (CHEBI:7915) is a aromatic ether (CHEBI:35618)
pantoprazole (CHEBI:7915) is a benzimidazoles (CHEBI:22715)
pantoprazole (CHEBI:7915) is a organofluorine compound (CHEBI:37143)
pantoprazole (CHEBI:7915) is a pyridines (CHEBI:26421)
pantoprazole (CHEBI:7915) is a sulfoxide (CHEBI:22063)
pantoprazole (CHEBI:7915) is conjugate acid of pantoprazole(1−) (CHEBI:50358)
Incoming Relation(s)
pantoprazole(1−) (CHEBI:50358) is conjugate base of pantoprazole (CHEBI:7915)
IUPAC Name 
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
INNs  Source
pantoprazolChemIDplus
pantoprazoleChemIDplus
pantoprazolumChemIDplus
Manual XrefsDatabases
2054DrugCentral
2958VSDB
C11806KEGG COMPOUND
D05353KEGG DRUG
DB00213DrugBank
EP166287Patent
HMDB0005017HMDB
LSM-1390LINCS
PantoprazoleWikipedia
US4758579Patent
Registry NumbersSources
Reaxys:5361474Reaxys
CAS:102625-70-7ChemIDplus
Citations