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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:vorapaxar sulfate
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Accession:CHEBI:83314 term browser browse the term
Definition:An organic sulfate salt obtained by combining vorapaxar with one molar equivalent of sulfuric acid. A protease-activated receptor-1 antagonist used for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation.
Synonyms:exact_synonym: 2-[(E)-2-{(3R,3aS,4S,4aR,7R,8aR,9aR)-7-[(ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-yl}ethenyl]-5-(3-fluorophenyl)pyridinium hydrogen sulfate;   ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamate sulfate
 related_synonym: Formula=C29H35FN2O8S;   InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1;   InChIKey=NQRYCIGCIAWEIC-CKLVGUEFSA-N;   SMILES=OS(O)(=O)=O.CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\\C=C\\c2ccc(cn2)-c2cccc(F)c2)C1;   Sch 530348;   ZONTIVITY;   vorapaxar monosulfate
 xref: CAS:705260-08-8;   KEGG:D09766;   PMID:20307225;   PMID:20926621;   PMID:21248619;   PMID:21935705;   PMID:22644721;   PMID:24211500;   PMID:24452610;   PMID:24962425;   Reaxys:12646217;   Wikipedia:Vorapaxar


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Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      application 19467
        pharmaceutical 19315
          drug 19315
            cardiovascular drug 7676
              vorapaxar sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      chalcogen 19456
                        oxygen atom 19432
                          oxygen molecular entity 19432
                            hydroxides 19171
                              oxoacid 18485
                                chalcogen oxoacid 11490
                                  sulfur oxoacid 11098
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfates 8008
                                          sulfate salt 7062
                                            organic sulfate salt 165
                                              vorapaxar sulfate 0
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