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CHEBI:8777 - ranitidine hydrochloride

Default Structure
ChEBI IDCHEBI:8777
ChEBI Nameranitidine hydrochloride
Stars
Last Modified12 March 2019
DownloadsMolfile
FormulaH.C13H22N4O3S.Cl
Net Charge0
Average Mass350.872
Monoisotopic Mass350.11794
SMILESCN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.[Cl-].[H+]
InChIInChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;
InChIKeyGGWBHVILAJZWKJ-KJEVSKRMSA-N
Roles Classification
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Application:
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
ranitidine hydrochloride (CHEBI:8777) has part ranitidine (CHEBI:8776)
ranitidine hydrochloride (CHEBI:8777) has role drug allergen (CHEBI:88188)
ranitidine hydrochloride (CHEBI:8777) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine hydrochloride
Synonym  Source
Ranitidine HCLChemIDplus
Brand Names  Source
AlquenDrugBank
CoralenDrugBank
FendibinaDrugBank
GastrialDrugBank
GastridinaDrugBank
GastrolavDrugBank
Manual XrefsDatabases
D00673KEGG DRUG
DB00863DrugBank
Registry NumbersSources
CAS:66357-59-3ChemIDplus