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CHEBI:8768 - rabeprazole

Default Structure
ChEBI IDCHEBI:8768
ChEBI Namerabeprazole
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC18H21N3O3S
Net Charge0
Average Mass359.451
Monoisotopic Mass359.13036
SMILESCOCCCOc1ccnc(CS(=O)c2nc3ccccc3n2)c1C
InChIInChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKeyYREYEVIYCVEVJK-UHFFFAOYSA-N
Wikipedia
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)
rabeprazole (CHEBI:8768) has role anti-ulcer drug (CHEBI:49201)
rabeprazole (CHEBI:8768) has role EC 3.6.3.10 (H+/K+-exchanging ATPase) inhibitor (CHEBI:49200)
rabeprazole (CHEBI:8768) is a benzimidazoles (CHEBI:22715)
rabeprazole (CHEBI:8768) is a pyridines (CHEBI:26421)
rabeprazole (CHEBI:8768) is a sulfoxide (CHEBI:22063)
rabeprazole (CHEBI:8768) is conjugate acid of rabeprazole(1−) (CHEBI:49199)
Incoming Relation(s)
rabeprazole(1−) (CHEBI:49199) is conjugate base of rabeprazole (CHEBI:8768)
IUPAC Name 
2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole
INN  Source
rabeprazoleChEBI
Synonyms  Source
ClofezoneChemIDplus
RabeprazoleKEGG COMPOUND
Manual XrefsDatabases
2350DrugCentral
C07864KEGG COMPOUND
D08463KEGG DRUG
DB01129DrugBank
LSM-5045LINCS
RabeprazoleWikipedia
Registry NumbersSources
Beilstein:8159014Beilstein
CAS:117976-89-3ChemIDplus
CAS:117976-89-3KEGG COMPOUND