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CHEBI:36804 - cis-dothiepin hydrochloride

ChEBI IDCHEBI:36804
ChEBI Namecis-dothiepin hydrochloride
Stars
ASCII Namecis-dothiepin hydrochloride
Last Modified23 October 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H22NS.Cl
Net Charge0
Average Mass331.912
Monoisotopic Mass331.11615
SMILES[Cl-].[H][N+](C)(C)CC/C=C1/c2ccccc2CSc2ccccc21
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/b17-11-;
InChIKeyXUPZAARQDNSRJB-CULRIWENSA-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)
cis-dothiepin hydrochloride (CHEBI:36804) has part cis-dothiepin (CHEBI:36802)
cis-dothiepin hydrochloride (CHEBI:36804) is a dothiepin hydrochloride (CHEBI:31519)
IUPAC Name 
(3Z)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine hydrochloride
Synonym  Source
cis-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochlorideChemIDplus
Registry NumbersSources
Beilstein:5892556Beilstein
CAS:25627-39-8ChemIDplus