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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 0
    role 0
      biological role 0
        pharmacological role 0
          neurotransmitter agent 0
            serotonergic drug 0
              serotonergic agonist 0
                buspirone 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        tertiary amino compound 0
                                          N-alkylpiperazine 0
                                            buspirone 0
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