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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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Term Annotations click to browse term
  CHEBI ontology 19734
    role 19680
      application 19336
        pharmaceutical 19211
          drug 19211
            fibrin modulating drug 131
              tirofiban 0
                tirofiban hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19734
    subatomic particle 19730
      composite particle 19730
        hadron 19730
          baryon 19730
            nucleon 19730
              atomic nucleus 19730
                atom 19730
                  main group element atom 19614
                    main group molecular entity 19614
                      s-block molecular entity 19378
                        hydrogen molecular entity 19367
                          hydrides 18289
                            organic hydride 17567
                              organic fundamental parent 17567
                                hydrocarbon 16991
                                  cyclic hydrocarbon 15103
                                    monocyclic hydrocarbon 5639
                                      annulene 5453
                                        aromatic annulene 5453
                                          benzene 5453
                                            alkylbenzene 3198
                                              methylbenzene 3059
                                                toluene 2920
                                                  benzyl group 2361
                                                    phenylalanine 2361
                                                      phenylalanine derivative 2353
                                                        tyrosine derivative 376
                                                          L-tyrosine derivative 6
                                                            tirofiban 0
                                                              tirofiban hydrochloride 0
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