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ONTOLOGY REPORT - ANNOTATIONS


Term:tirofiban
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Accession:CHEBI:9605 term browser browse the term
Definition:A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.
Synonyms:related_synonym: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;   Formula=C22H36N2O5S;   InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1;   InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N;   N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine;   N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine;   SMILES=CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O;   tirofibanum
 alt_id: CHEBI:40602
 xref: Beilstein:6182267 "Beilstein";   CAS:144494-65-5 "ChemIDplus";   DrugBank:DB00775;   Drug_Central:2680 "DrugCentral";   KEGG:C07965;   KEGG:D08607;   PDBeChem:AGG;   Patent:EP478363;   Patent:US5292756;   Wikipedia:Tirofiban


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  CHEBI ontology 829
    role 806
      application 437
        pharmaceutical 397
          drug 397
            fibrin modulating drug 0
              tirofiban 0
                tirofiban hydrochloride 0
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  CHEBI ontology 829
    subatomic particle 813
      composite particle 813
        hadron 813
          baryon 813
            nucleon 813
              atomic nucleus 813
                atom 813
                  main group element atom 801
                    main group molecular entity 799
                      s-block molecular entity 680
                        hydrogen molecular entity 673
                          hydrides 310
                            organic hydride 222
                              organic fundamental parent 222
                                hydrocarbon 157
                                  cyclic hydrocarbon 72
                                    monocyclic hydrocarbon 58
                                      annulene 58
                                        aromatic annulene 58
                                          benzene 58
                                            alkylbenzene 58
                                              methylbenzene 58
                                                toluene 58
                                                  benzyl group 57
                                                    phenylalanine 57
                                                      phenylalanine derivative 57
                                                        tyrosine derivative 0
                                                          L-tyrosine derivative 0
                                                            tirofiban 0
                                                              tirofiban hydrochloride 0
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