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CHEBI:4449 - desipramine hydrochloride

ChEBI IDCHEBI:4449
ChEBI Namedesipramine hydrochloride
Stars
DefinitionThe hydrochloride salt of desipramine.
Last Modified12 March 2019
DownloadsMolfile
FormulaH.C18H22N2.Cl
Net Charge0
Average Mass302.849
Monoisotopic Mass302.15498
SMILESCNCCCN1c2ccccc2CCc2ccccc21.[Cl-].[H+]
InChIInChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H
InChIKeyXAEWZDYWZHIUCT-UHFFFAOYSA-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)
desipramine hydrochloride (CHEBI:4449) has part desipramine (CHEBI:47781)
desipramine hydrochloride (CHEBI:4449) has role drug allergen (CHEBI:88188)
desipramine hydrochloride (CHEBI:4449) is a hydrochloride (CHEBI:36807)
IUPAC Name 
3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride
Synonyms  Source
10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine hydrochlorideChemIDplus
10,11-Dihydro-5-(3-(methylamino)propyl)-5H-dibenz(b,f)azepine monohydrochlorideChemIDplus
DMI hydrochlorideChemIDplus
Demethylimipramine hydrochlorideChemIDplus
Desimipramine, hydrochlorideChemIDplus
Desipramine HClChemIDplus
Manual XrefsDatabases
D00812KEGG DRUG
DB01151DrugBank
Registry NumbersSources
Beilstein:4166006Beilstein
CAS:58-28-6ChemIDplus
Citations