EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142340 - (E)-desmethyldoxepin

ChEBI IDCHEBI:142340
ChEBI Name(E)-desmethyldoxepin
Stars
ASCII Name(E)-desmethyldoxepin
DefinitionThe (E)-isomer of desmethyldoxepin.
Last Modified21 September 2018
SubmitterAdnan
DownloadsMolfile
FormulaC18H19NO
Net Charge0
Average Mass265.356
Monoisotopic Mass265.14666
SMILES[H]/C(CCNC)=C1/c2ccccc2COc2ccccc21
InChIInChI=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+
InChIKeyHVKCEFHNSNZIHO-MHWRWJLKSA-N
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).
Biological Role:
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
(E)-desmethyldoxepin (CHEBI:142340) is a desmethyldoxepin (CHEBI:141547)
IUPAC Name 
(3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine
Synonyms  Source
(E)-3-dibenz[b,e]oxepin-11(6H)-ylidene-N-methyl-1-propanamineChEBI
(E)-N-desmethyldoxepinChEBI
trans-desmethyldoxepinChEBI
(E)-desmethyldoxepinChEBI
Registry NumbersSources
Reaxys:6483008Reaxys
CAS:67035-76-1ChemIDplus
Citations