<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_8021"?>
<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/"
     xmlns:efo="http://www.ebi.ac.uk/efo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // 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_8021 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_8021">
        <rdfs:label>pergolide mesylate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://www.ebi.ac.uk/efo/EFO_0004415"/>
        <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">410.16978</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">410.605</ns4:mass>
        <oboInOwl:hasRelatedSynonym>pergolide methanesulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:31082785</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:5698117</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:6889702</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>chemspider:43504</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D00502</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:20949429</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:10365192</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG DRUG:66104-23-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CiteXplore:6889702</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:5698117</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>pergolide monomesylate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:24134630</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:7562267</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19801850</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15591656</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:8748627</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>SNOMEDCT:108469007</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:14532675</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C47665</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:15257688</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:12378837</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Pergolide mesilate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>pergolide monomethanesulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:11257938</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1</ns4:inchi_string>
        <oboInOwl:hasDbXref>drugbank:DBSALT002445</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG DRUG:D00502</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>ChemIDplus:66104-23-2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:27301465</oboInOwl:hasDbXref>
        <ns4:inchi_key_string>UWCVGPLTGZWHGS-ZORIOUSZSA-N</ns4:inchi_key_string>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasDbXref>ChEMBL:349814</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:12446951</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:8021</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:15602103</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:23966481</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>(8beta)-8-[(methylsulfanyl)methyl]-6-propylergolin-6-ium methanesulfonate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>cas:66104-23-2</oboInOwl:hasDbXref>
        <ns4:smiles_string>CS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC</ns4:smiles_string>
        <ns3:IAO_0000115>A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; receptor agonist which also has D&lt;small&gt;&lt;sub&gt;1&lt;/sub&gt;&lt;/small&gt; and D&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; agonist properties, it is used in the management of Parkinson&#39;s disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.</ns3:IAO_0000115>
        <oboInOwl:hasDbXref>CiteXplore:8748627</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:19210262</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21507864</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>DrugBank:DB01186</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C19H26N2S.CH4O3S</ns4:generalized_empirical_formula>
        <oboInOwl:hasRelatedSynonym>Permax</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:21324306</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
    


    <!-- http://www.ebi.ac.uk/efo/EFO_0004415 -->

    <Class rdf:about="http://www.ebi.ac.uk/efo/EFO_0004415">
        <rdfs:label>ionic salt</rdfs:label>
    </Class>
</rdf:RDF>



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



