CHEBI:141547 - desmethyldoxepin

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ChEBI Name desmethyldoxepin
Definition A dibenzooxepine resulting from the demethylation of the antidepressant doxepin. It is the active metabolite of doxepin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
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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
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

Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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ChEBI Ontology
Outgoing desmethyldoxepin (CHEBI:141547) has role antidepressant (CHEBI:35469)
desmethyldoxepin (CHEBI:141547) has role drug metabolite (CHEBI:49103)
desmethyldoxepin (CHEBI:141547) is a cyclic ether (CHEBI:37407)
desmethyldoxepin (CHEBI:141547) is a dibenzooxepine (CHEBI:38926)
desmethyldoxepin (CHEBI:141547) is a secondary amino compound (CHEBI:50995)
Incoming (E)-desmethyldoxepin (CHEBI:142340) is a desmethyldoxepin (CHEBI:141547)
(Z)-desmethyldoxepin (CHEBI:142339) is a desmethyldoxepin (CHEBI:141547)
Synonyms Sources
11-(3-methylamino-propyliden)-dibenzo[b,e]oxepin ChEBI
3-(6H-dibenz[b,e]oxepin-11-ylidene)-N-methylpropylamine ChEBI
3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methyl-1-propanamine ChEBI
demethyldoxepin ChemIDplus
desmethyldoxepin ChEBI
desmethyldoxepine ChEBI
monodesmethyldoxepin ChemIDplus
N-desmethyldoxepin HMDB
nordoxepin ChemIDplus
Manual Xrefs Databases
HMDB0060840 HMDB
Nordoxepin Wikipedia
WO2007136741 Patent
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Registry Numbers Types Sources
1225-56-5 CAS Registry Number NIST Chemistry WebBook
1225-56-5 CAS Registry Number ChemIDplus
1348117 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
21 September 2018