<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_5818"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     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:ns4="https://w3id.org/chemrof/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


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

    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_5818 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_5818">
        <rdfs:label>hydroxyzine</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <ns4:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns4:charge>
        <ns4:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">374.17611</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">374.912</ns4:mass>
        <oboInOwl:hasDbXref>hmdb:HMDB0014697</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugcentral:1400</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol</oboInOwl:hasExactSynonym>
        <ns3:IAO_0000115>A &lt;em&gt;N&lt;/em&gt;-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>pubmed:15233966</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>cas:68-88-2</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>ZQDWXGKKHFNSQK-UHFFFAOYSA-N</ns4:inchi_key_string>
        <oboInOwl:hasDbXref>vsdb:2977</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2</ns4:inchi_string>
        <oboInOwl:hasDbXref>kegg.drug:D08054</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C21H27ClN2O2</ns4:generalized_empirical_formula>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>hidroxizina</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:19348661</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Hydroxyzine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.compound:C07045</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19057127</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00557</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>hydroxyzinum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>wikipedia.en:Hydroxyzine</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:5818</oboInOwl:id>
        <oboInOwl:hasRelatedSynonym>2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethanol</oboInOwl:hasRelatedSynonym>
        <ns4:smiles_string>OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1</ns4:smiles_string>
        <oboInOwl:hasRelatedSynonym>Hychotine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hydroxyzin</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hydroxycine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hydroxizine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Hydroxine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>patent:US2899436</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Hydroxizinum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-5103</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:321392</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>hydroxyzine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



