EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8769 - rabeprazole sodium

Default Structure
ChEBI IDCHEBI:8769
ChEBI Namerabeprazole sodium
Stars
Last Modified2 May 2008
DownloadsMolfile
FormulaC18H20N3O3S.Na
Net Charge0
Average Mass381.433
Monoisotopic Mass381.11231
SMILESCOCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C.[Na+]
InChIInChI=1S/C18H20N3O3S.Na/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;/q-1;+1
InChIKeyKRCQSTCYZUOBHN-UHFFFAOYSA-N
Roles Classification
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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 sodium (CHEBI:8769) has part rabeprazole(1−) (CHEBI:49199)
rabeprazole sodium (CHEBI:8769) has role anti-ulcer drug (CHEBI:49201)
rabeprazole sodium (CHEBI:8769) has role antibacterial agent (CHEBI:33282)
rabeprazole sodium (CHEBI:8769) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 2-({[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl)benzimidazol-1-ide
Synonyms  Source
AciphexKEGG DRUG
E-3810ChEMBL
E-3810 SODIUMChEMBL
IdiazoleChEMBL
LY-307640 SODIUMChEMBL
LY307640 SODIUMChEMBL
Brand Names  Source
AcipHexDrugBank
Aciphex sprinkleChEMBL
ParietDrugBank
Manual XrefsDatabases
C07865KEGG COMPOUND
D00724KEGG DRUG
Registry NumbersSources
Beilstein:7561607Beilstein
CAS:117976-90-6ChemIDplus
CAS:117976-90-6KEGG COMPOUND
Citations