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CHEBI:36803 - trans-dothiepin

ChEBI IDCHEBI:36803
ChEBI Nametrans-dothiepin
Stars
ASCII Nametrans-dothiepin
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H21NS
Net Charge0
Average Mass295.451
Monoisotopic Mass295.13947
SMILESCN(C)CC/C=C1\c2ccccc2CSc2ccccc21
InChIInChI=1S/C19H21NS/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/b17-11+
InChIKeyPHTUQLWOUWZIMZ-GZTJUZNOSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
trans-dothiepin (CHEBI:36803) is a dothiepin (CHEBI:36798)
Incoming Relation(s)
trans-dothiepin hydrochloride (CHEBI:36805) has part trans-dothiepin (CHEBI:36803)
Synonym  Source
(3E)-3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amineChEBI
Manual XrefsDatabases
951DrugCentral
Registry NumbersSources
Beilstein:3616619Beilstein