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ONTOLOGY REPORT - ANNOTATIONS


Term:desmethyldoxepin
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Accession:CHEBI:141547 term browser browse the term
Definition:A dibenzooxepine resulting from the demethylation of the antidepressant doxepin. It is the active metabolite of doxepin.
Synonyms:exact_synonym: 3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine
 related_synonym: 11-(3-methylamino-propyliden)-dibenzo[b,e]oxepin;   3-(6H-dibenz[b,e]oxepin-11-ylidene)-N-methylpropylamine;   3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methyl-1-propanamine;   Formula=C18H19NO;   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;   InChIKey=HVKCEFHNSNZIHO-UHFFFAOYSA-N;   N-Desmethyldoxepin;   SMILES=O1CC=2C(C(C=3C1=CC=CC3)=C(CCNC)[H])=CC=CC2;   demethyldoxepin;   desmethyldoxepine;   monodesmethyldoxepin;   nordoxepin
 xref: CAS:1225-56-5;   HMDB:HMDB0060840;   PMID:12136371;   PMID:19524381;   PMID:2865592;   PMID:4074620;   PMID:7062243;   PMID:7113722;   PMID:711683;   PMID:9140766;   PMID:9460230;   Patent:WO2007136741;   Reaxys:1348117;   Wikipedia:Nordoxepin


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  CHEBI ontology 19779
    role 19727
      application 19373
        refrigerant 17266
          ammonia 16715
            organic amino compound 16714
              secondary amino compound 6496
                desmethyldoxepin 0
                  (E)-desmethyldoxepin 0
                  (Z)-desmethyldoxepin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    main group molecular entity 19664
                      s-block molecular entity 19406
                        hydrogen molecular entity 19397
                          hydrides 18386
                            inorganic hydride 17221
                              pnictogen hydride 17184
                                nitrogen hydride 17020
                                  azane 16716
                                    ammonia 16715
                                      organic amino compound 16714
                                        secondary amino compound 6496
                                          desmethyldoxepin 0
                                            (E)-desmethyldoxepin 0
                                            (Z)-desmethyldoxepin 0
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