CHEBI:7915 - pantoprazole

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ChEBI Name pantoprazole
ChEBI ID CHEBI:7915
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H15F2N3O4S
Net Charge 0
Average Mass 383.37093
Monoisotopic Mass 383.075
InChI InChI=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)
InChIKey IQPSEEYGBUAQFF-UHFFFAOYSA-N
SMILES COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
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.
Application(s): 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.
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ChEBI Ontology
Outgoing 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 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 Sources
pantoprazol ChemIDplus
pantoprazole ChemIDplus
pantoprazolum ChemIDplus
Database Links Databases
2054 DrugCentral
C11806 KEGG COMPOUND
D05353 KEGG DRUG
DB00213 DrugBank
EP166287 Patent
HMDB0005017 HMDB
LSM-1390 LINCS
Pantoprazole Wikipedia
US4758579 Patent
View more database links
Registry Numbers Types Sources
102625-70-7 CAS Registry Number ChemIDplus
5361474 Beilstein Registry Number Beilstein
5361474 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11110229 PubMed citation Europe PMC
11240974 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag