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ONTOLOGY REPORT - ANNOTATIONS


Term:pentamidine isethionate
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Accession:CHEBI:7977 term browser browse the term
Definition:An organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid.
Synonyms:exact_synonym: 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethylsulfonate)
 related_synonym: 4,4'-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate);   4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate);   4,4'-Diamidino-alpha,omega-diphenoxypentane isethionate;   4,4'-Diamidinodiphenoxypentane di(beta-hydroxyethanesulfonate);   Formula=C23H36N4O10S2;   InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6);   InChIKey=YBVNFKZSMZGRAD-UHFFFAOYSA-N;   Pentamidine diisethionate;   SMILES=OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1;   [pentane-1,5-diylbis(oxy-4,1-phenylene)]bis(aminomethaniminium) bis(2-hydroxyethanesulfonate);   p,p'-(Pentamethylenedioxy)dibenzamidine bis(beta-hydroxyethanesulfonate)
 xref: CAS:140-64-7 "ChemIDplus";   CAS:140-64-7 "KEGG DRUG";   DrugBank:DB00738;   KEGG:D00834;   PMID:1589716 "Europe PMC";   PMID:18155842 "Europe PMC";   PMID:18349360 "Europe PMC";   PMID:18408970 "Europe PMC";   PMID:18509543 "Europe PMC";   PMID:18833075 "Europe PMC";   PMID:19125672 "Europe PMC";   PMID:19126051 "Europe PMC";   PMID:19208882 "Europe PMC";   PMID:19356780 "Europe PMC";   PMID:19361701 "Europe PMC";   PMID:22271285 "Europe PMC";   PMID:22281895 "Europe PMC";   Reaxys:4286775 "Reaxys"


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  CHEBI ontology 19764
    role 19711
      biological role 19710
        antimicrobial agent 17242
          antimicrobial drug 6138
            antiprotozoal drug 3746
              trypanocidal drug 74
                pentamidine isethionate 0
Path 2
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  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic ion 8106
                              organic cation 7115
                                iminium ion 50
                                  carboxamidinium ion 2
                                    pentamidinium(2+) 0
                                      pentamidine isethionate 0
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