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CHEBI:50270 - pantoprazole sodium

ChEBI IDCHEBI:50270
ChEBI Namepantoprazole sodium
Stars
Last Modified24 November 2008
SubmitterInma Spiteri
DownloadsMolfile
FormulaC16H14F2N3O4S.Na
Net Charge0
Average Mass405.358
Monoisotopic Mass405.05708
SMILESCOc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.[Na+]
InChIInChI=1S/C16H14F2N3O4S.Na/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;+1
InChIKeyYNWDKZIIWCEDEE-UHFFFAOYSA-N
Roles Classification
Biological Role:
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 sodium (CHEBI:50270) has part pantoprazole(1−) (CHEBI:50358)
pantoprazole sodium (CHEBI:50270) has role anti-ulcer drug (CHEBI:49201)
pantoprazole sodium (CHEBI:50270) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
pantoprazole sodium (CHEBI:50270) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}benzimidazol-1-ide
Brand Names  Source
ProtonixDrugBank
ProtiumDrugBank
CitrelChEBI
Manual XrefsDatabases
DB00213DrugBank
Registry NumbersSources
Beilstein:5372611Beilstein
CAS:138786-67-1ChemIDplus