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ONTOLOGY REPORT - ANNOTATIONS


Term:buspirone
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Accession:CHEBI:3223 term browser browse the term
Definition:An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.
Synonyms:exact_synonym: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
 related_synonym: 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione;   Formula=C21H31N5O2;   InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2;   InChIKey=QWCRAEMEVRGPNT-UHFFFAOYSA-N;   SMILES=C=1N=C(N=CC1)N2CCN(CC2)CCCCN3C(CC4(CC3=O)CCCC4)=O;   buspirona;   buspironum
 xref: Beilstein:964904 "Beilstein";   CAS:36505-84-7 "ChemIDplus";   CAS:36505-84-7 "KEGG COMPOUND";   DrugBank:DB00490;   Drug_Central:437 "DrugCentral";   HMDB:HMDB0014633;   KEGG:C06861;   KEGG:D07593;   LINCS:LSM-4105
 xref_mesh: MESH:D002065
 xref: PMID:15876901 "Europe PMC";   PMID:20825390 "Europe PMC";   PMID:26746121 "Europe PMC";   PMID:8638511 "Europe PMC";   Patent:DE2057845;   Patent:US3717634;   Reaxys:964904 "Reaxys";   Wikipedia:Buspirone
 cyclic_relationship: is_conjugate_base_of CHEBI:132102


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  CHEBI ontology 835
    role 812
      biological role 812
        pharmacological role 354
          neurotransmitter agent 125
            serotonergic drug 2
              serotonergic agonist 0
                buspirone 0
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  CHEBI ontology 835
    subatomic particle 819
      composite particle 819
        hadron 819
          baryon 819
            nucleon 819
              atomic nucleus 819
                atom 819
                  main group element atom 807
                    main group molecular entity 805
                      s-block molecular entity 686
                        hydrogen molecular entity 679
                          hydrides 313
                            inorganic hydride 207
                              pnictogen hydride 203
                                nitrogen hydride 203
                                  azane 196
                                    ammonia 196
                                      organic amino compound 196
                                        tertiary amino compound 47
                                          N-alkylpiperazine 1
                                            buspirone 0
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