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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 19811
    role 19818
      application 19630
        pharmaceutical 19503
          drug 19471
            cardiovascular drug 8617
              vorapaxar sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                chalcogen oxoacid 13752
                                  sulfur oxoacid 13540
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          sulfate salt 7134
                                            organic sulfate salt 220
                                              vorapaxar sulfate 0
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