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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 223
    role 223
      biological role 223
        pharmacological role 144
          neurotransmitter agent 87
            serotonergic drug 7
              serotonergic agonist 2
                buspirone 0
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  CHEBI ontology 223
    subatomic particle 223
      composite particle 223
        hadron 223
          baryon 223
            nucleon 223
              atomic nucleus 223
                atom 223
                  main group element atom 216
                    main group molecular entity 216
                      s-block molecular entity 172
                        hydrogen molecular entity 170
                          hydrides 110
                            inorganic hydride 73
                              pnictogen hydride 72
                                nitrogen hydride 72
                                  azane 67
                                    ammonia 67
                                      organic amino compound 67
                                        tertiary amino compound 21
                                          N-alkylpiperazine 16
                                            buspirone 0
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