CHEBI:142339 - (Z)-desmethyldoxepin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (Z)-desmethyldoxepin
ChEBI ID CHEBI:142339
ChEBI ASCII Name (Z)-desmethyldoxepin
Definition The (Z)-isomer of desmethyldoxepin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H19NO
Net Charge 0
Average Mass 265.350
Monoisotopic Mass 265.14666
InChI InChI=1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
InChIKey HVKCEFHNSNZIHO-YBEGLDIGSA-N
SMILES O1CC=2C(/C(/C=3C1=CC=CC3)=C(/CCNC)\[H])=CC=CC2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): drug metabolite

(via desmethyldoxepin )
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
(via desmethyldoxepin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (Z)-desmethyldoxepin (CHEBI:142339) is a desmethyldoxepin (CHEBI:141547)
IUPAC Name
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine
Synonyms Sources
(Z)-desmethyldoxepin ChEBI
(Z)-N-desmethyldoxepin ChEBI
cis-desmethyldoxepin ChEBI
cis-N-desmethyldoxepin ChemIDplus
Registry Numbers Types Sources
58534-46-6 CAS Registry Number ChemIDplus
6483007 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10497142 PubMed citation Europe PMC
1607001 PubMed citation Europe PMC
1981729 PubMed citation Europe PMC
Last Modified
21 September 2018