<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_8776"?>
<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_8776 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_8776">
        <rdfs:label>ranitidine</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">314.14126</ns4:monoisotopic_mass>
        <ns4:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">314.411</ns4:mass>
        <oboInOwl:hasDbXref>hmdb:HMDB0001930</oboInOwl:hasDbXref>
        <ns4:inchi_string>InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+</ns4:inchi_string>
        <oboInOwl:hasDbXref>pubmed:18609122</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:FR2384765</oboInOwl:hasDbXref>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <oboInOwl:hasRelatedSynonym>ranitidina</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>ranitidine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:8776</oboInOwl:id>
        <oboInOwl:hasExactSynonym>(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N&#39;-methyl-2-nitroethene-1,1-diamine</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>cas:66357-35-5</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>drugbank:DB00863</oboInOwl:hasDbXref>
        <ns3:IAO_0000115>A member of the class of  furans used to treat  peptic ulcer disease (PUD) and gastroesophageal reflux disease.</ns3:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>(E)-N-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N&#39;-methyl-2-nitroethene-1,1-diamine</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>kegg.drug:D00422</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Ranitidine</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>patent:US4128658</oboInOwl:hasDbXref>
        <ns4:generalized_empirical_formula>C13H22N4O3S</ns4:generalized_empirical_formula>
        <ns4:inchi_key_string>VMXUWOKSQNHOCA-UKTHLTGXSA-N</ns4:inchi_key_string>
        <oboInOwl:hasRelatedSynonym>ranitidinum</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>reaxys:4327819</oboInOwl:hasDbXref>
        <ns4:smiles_string>CN/C(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1</ns4:smiles_string>
        <oboInOwl:hasDbXref>pubmed:19694603</oboInOwl:hasDbXref>
        <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 -->



