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CHEBI:31519 - dothiepin hydrochloride

ChEBI IDCHEBI:31519
ChEBI Namedothiepin hydrochloride
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Last Modified14 June 2016
DownloadsMolfile
FormulaC19H22NS.Cl
Net Charge0
Average Mass331.912
Monoisotopic Mass331.11615
SMILES[Cl-].[H]C(CC[N+]([H])(C)C)=C1c2ccccc2CSc2ccccc21
InChIInChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H
InChIKeyXUPZAARQDNSRJB-UHFFFAOYSA-N
Roles Classification
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
dothiepin hydrochloride (CHEBI:31519) has part dothiepin (CHEBI:36798)
dothiepin hydrochloride (CHEBI:31519) has role antidepressant (CHEBI:35469)
dothiepin hydrochloride (CHEBI:31519) is a hydrochloride (CHEBI:36807)
Incoming Relation(s)
cis-dothiepin hydrochloride (CHEBI:36804) is a dothiepin hydrochloride (CHEBI:31519)
trans-dothiepin hydrochloride (CHEBI:36805) is a dothiepin hydrochloride (CHEBI:31519)
IUPAC Name 
3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride
Synonyms  Source
dothiepin hydrochlorideChemIDplus
dosulepin hydrochlorideChemIDplus
dosulepin chlorideChemIDplus
ProthiadenChemIDplus
Manual XrefsDatabases
D01546KEGG DRUG
Registry NumbersSources
Beilstein:4339832Beilstein
CAS:897-15-4ChemIDplus