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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which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.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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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      application 25172
        pharmaceutical 24558
          drug 24544
            protective agent 20758
              geroprotector 19047
                pergolide mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      chalcogen 24917
                        oxygen atom 24817
                          oxygen molecular entity 24806
                            hydroxides 24049
                              oxoacid 22975
                                chalcogen oxoacid 14506
                                  sulfur oxoacid 14255
                                    sulfonic acid 11958
                                      sulfo group 10297
                                        organosulfonic acid 10297
                                          alkanesulfonic acid 4254
                                            methanesulfonic acid 4245
                                              methanesulfonates 4242
                                                methanesulfonate salt 2
                                                  pergolide mesylate 0
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