CHEBI:36691 - cis-doxepin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cis-doxepin
ChEBI ID CHEBI:36691
ChEBI ASCII Name cis-doxepin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36692
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C19H21NO
Net Charge 0
Average Mass 279.37610
Monoisotopic Mass 279.162
InChI InChI=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-
InChIKey ODQWQRRAPPTVAG-BOPFTXTBSA-N
SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
(via doxepin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cis-doxepin (CHEBI:36691) is a doxepin (CHEBI:4710)
IUPAC Names
(3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
Manual Xref Database
Doxepin Wikipedia
View more database links
Registry Numbers Types Sources
4235023 Beilstein Registry Number Beilstein
5056048 Beilstein Registry Number Beilstein
Last Modified
03 September 2010