<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_2666"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:obo="http://purl.obolibrary.org/obo#"
     xmlns:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo#has_role -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24431 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24431">
        <rdfs:label>chemical entity</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_2666 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_2666">
        <rdfs:label>amitriptyline</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35640"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">277.18305</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">277.411</ns5:mass>
        <oboInOwl:hasRelatedSynonym>3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine</oboInOwl:hasRelatedSynonym>
        <ns5:smiles_string>CN(C)CCC=C1c2ccccc2CCc2ccccc21</ns5:smiles_string>
        <oboInOwl:hasDbXref>SNOMEDCT:40589005</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15554244</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>SNOMEDCT:372726002</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>An organic tricyclic compound that is 10,11-dihydro-5&lt;em&gt;H&lt;/em&gt;-dibenzo[&lt;em&gt;a,d&lt;/em&gt;][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.</ns4:IAO_0000115>
        <oboInOwl:hasDbXref>kegg.compound:C06824</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00321</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:18359012</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>vsdb:2962</oboInOwl:hasDbXref>
        <ns5:generalized_empirical_formula>C20H23N</ns5:generalized_empirical_formula>
        <oboInOwl:hasDbXref>wikipedia.en:Amitriptyline</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine</oboInOwl:hasRelatedSynonym>
        <ns5:inchi_string>InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3</ns5:inchi_string>
        <oboInOwl:hasRelatedSynonym>10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugcentral:180</oboInOwl:hasDbXref>
        <ns5:inchi_key_string>KRMDCWKBEZIMAB-UHFFFAOYSA-N</ns5:inchi_key_string>
        <oboInOwl:hasDbXref>pubmed:24447704</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:50-48-6</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C62005</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:CN101780063</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:2217885</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasExactSynonym>3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-3190</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>hmdb:HMDB0014466</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:WO2011089289</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:2666</oboInOwl:id>
        <oboInOwl:hasDbXref>MESH:D000639</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D07448</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Amitriptylin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Amitriptyline</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35640 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35640">
        <rdfs:label>adrenergic uptake inhibitor</rdfs:label>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



