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CHEBI:50362 - cimetidine hydrochloride

ChEBI IDCHEBI:50362
ChEBI Namecimetidine hydrochloride
Stars
Last Modified1 February 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaH.C10H16N6S.Cl
Net Charge0
Average Mass288.808
Monoisotopic Mass288.09239
SMILESCN/C(=N/C#N)NCCSCc1ncnc1C.[Cl-].[H+]
InChIInChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H
InChIKeyQJHCNBWLPSXHBL-UHFFFAOYSA-N
Roles Classification
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)
cimetidine hydrochloride (CHEBI:50362) has part cimetidine (CHEBI:3699)
cimetidine hydrochloride (CHEBI:50362) has role anti-ulcer drug (CHEBI:49201)
cimetidine hydrochloride (CHEBI:50362) is a hydrochloride (CHEBI:36807)
Synonym  Source
Cimetidine HClChemIDplus
Brand Name  Source
TagametDrugBank
Manual XrefsDatabases
D03503KEGG DRUG
DB00501DrugBank
Registry NumbersSources
CAS:70059-30-2ChemIDplus