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CHEBI:36691 - cis-doxepin

ChEBI IDCHEBI:36691
ChEBI Namecis-doxepin
Stars
ASCII Namecis-doxepin
Secondary ChEBI IDCHEBI:36692
Last Modified3 September 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H21NO
Net Charge0
Average Mass279.383
Monoisotopic Mass279.16231
SMILESCN(C)CC/C=C1/c2ccccc2COc2ccccc21
InChIInChI=1S/C19H21NO/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-
InChIKeyODQWQRRAPPTVAG-BOPFTXTBSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
cis-doxepin (CHEBI:36691) is a doxepin (CHEBI:4710)
IUPAC Names 
(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
(3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
Manual XrefsDatabases
DoxepinWikipedia
Registry NumbersSources
Beilstein:5056048Beilstein
Beilstein:4235023Beilstein