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ONTOLOGY REPORT - ANNOTATIONS


Term:tandospirone
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Accession:CHEBI:145673 term browser browse the term
Definition:A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM).
Synonyms:exact_synonym: (3aR,4S,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
 related_synonym: Formula=C21H29N5O2;   InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-;   InChIKey=CEIJFEGBUDEYSX-FZDBZEDMSA-N;   SM-3997;   SMILES=[C@]12([C@@]([C@@]3(C[C@]1(CC3)[H])[H])(C(N(C2=O)CCCCN4CCN(CC4)C5=NC=CC=N5)=O)[H])[H];   tandospirona;   tandospironum
 xref: CAS:87760-53-0;   DrugBank:DB12833;   Drug_Central:2563;   KEGG:D08561;   PMID:18062405;   PMID:1970610;   PMID:1971265;   PMID:1974152;   PMID:1981263;   PMID:20676611;   PMID:24207070;   PMID:25170231;   PMID:2572002;   PMID:25804359;   PMID:25879718;   PMID:26027828;   PMID:2895201;   PMID:2897609;   PMID:2898033;   PMID:29254282;   PMID:29433063;   PMID:30204599;   PMID:30628997;   PMID:30822365;   PMID:31509356;   PMID:31643024;   Wikipedia:Tandospirone
 cyclic_relationship: is_conjugate_base_of CHEBI:145674


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            central nervous system drug 116
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                antidepressant 2
                  tandospirone 0
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    subatomic particle 828
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              atomic nucleus 828
                atom 828
                  main group element atom 816
                    main group molecular entity 814
                      s-block molecular entity 697
                        hydrogen molecular entity 684
                          hydrides 317
                            inorganic hydride 212
                              pnictogen hydride 208
                                nitrogen hydride 208
                                  azane 201
                                    ammonia 201
                                      organic amino compound 201
                                        tertiary amino compound 55
                                          N-alkylpiperazine 1
                                            tandospirone 0
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