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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

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;   CAS:36505-84-7;   DrugBank:DB00490;   Drug_Central:437;   HMDB:HMDB0014633;   KEGG:C06861;   KEGG:D07593;   LINCS:LSM-4105
 xref_mesh: MESH:D002065
 xref: PMID:15876901;   PMID:20825390;   PMID:26746121;   PMID:8638511;   Patent:DE2057845;   Patent:US3717634;   Reaxys:964904;   Wikipedia:Buspirone
 cyclic_relationship: is_conjugate_base_of CHEBI:132102


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  CHEBI ontology 909
    role 868
      biological role 868
        pharmacological role 391
          neurotransmitter agent 146
            serotonergic drug 2
              serotonergic agonist 0
                buspirone 0
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  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    main group molecular entity 861
                      s-block molecular entity 746
                        hydrogen molecular entity 733
                          hydrides 354
                            inorganic hydride 246
                              pnictogen hydride 242
                                nitrogen hydride 242
                                  azane 235
                                    ammonia 235
                                      organic amino compound 235
                                        tertiary amino compound 70
                                          N-alkylpiperazine 1
                                            buspirone 0
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