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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:tofacitinib citrate
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Accession:CHEBI:71197 term browser browse the term
Definition:A citrate salt obtained by combining equimolar amounts of tofacitinib and citric acid. Used to treat moderately to severely active Rheumatoid Arthritis.
Synonyms:exact_synonym: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate
 related_synonym: CP-690,550-10;   Formula=C22H28N6O8;   InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1;   InChIKey=SYIKUFDOYJFGBQ-YLAFAASESA-N;   SMILES=OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N;   Tasocitinib citrate;   Xeljanz
 xref: CAS:540737-29-9;   KEGG:D09783;   PMID:21105711;   Patent:US2003130292;   Patent:WO2005063251;   Patent:WO2005105146;   Reaxys:11610699

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19823
    role 19773
      application 19486
        pharmaceutical 19335
          drug 19335
            antirheumatic drug 14664
              tofacitinib citrate 0
Path 2
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  CHEBI ontology 19823
    subatomic particle 19821
      composite particle 19821
        hadron 19821
          baryon 19821
            nucleon 19821
              atomic nucleus 19821
                atom 19821
                  main group element atom 19720
                    main group molecular entity 19720
                      s-block molecular entity 19502
                        hydrogen molecular entity 19495
                          hydrides 18855
                            inorganic hydride 17694
                              pnictogen hydride 17675
                                nitrogen hydride 17547
                                  azane 17280
                                    ammonia 17279
                                      organic amino compound 17279
                                        tertiary amino compound 8687
                                          tofacitinib 82
                                            tofacitinib citrate 0
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