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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:pergolide mesylate
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Accession:CHEBI:8021 term browser browse the term
Definition:A methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.
Synonyms:exact_synonym: (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate
 related_synonym: (8beta)-8-[(methylsulfanyl)methyl]-6-propylergolin-6-ium methanesulfonate;   Formula=C20H30N2O3S2;   InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1;   InChIKey=UWCVGPLTGZWHGS-ZORIOUSZSA-N;   Pergolide mesilate;   Permax;   SMILES=CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CSC)CN2CCC;   pergolide methanesulfonate;   pergolide monomesylate;   pergolide monomethanesulfonate
 xref: CAS:66104-23-2;   Chemspider:43504;   DrugBank:DBSALT002445;   KEGG:D00502;   PMID:10365192;   PMID:11257938;   PMID:12378837;   PMID:12446951;   PMID:14532675;   PMID:15257688;   PMID:15591656;   PMID:15602103;   PMID:19210262;   PMID:19801850;   PMID:20949429;   PMID:21324306;   PMID:21507864;   PMID:23966481;   PMID:24134630;   PMID:27301465;   PMID:31082785;   PMID:6889702;   PMID:7562267;   PMID:8748627;   Reaxys:5698117

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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            protective agent 0
              geroprotector 0
                pergolide mesylate 0
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  CHEBI ontology 0
    subatomic particle 0
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        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfo group 0
                                        organosulfonic acid 0
                                          alkanesulfonic acid 0
                                            methanesulfonic acid 0
                                              methanesulfonates 0
                                                methanesulfonate salt 0
                                                  pergolide mesylate 0
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