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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:hycanthone mesylate
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Accession:CHEBI:24624 term browser browse the term
Definition:A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.
Synonyms:exact_synonym: 1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-10H-dibenzo[b,e]thiopyran-10-one methanesulfonate
 related_synonym: Etrenol;   Formula=C21H28N2O5S2;   InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4);   InChIKey=LOEQGPPJCCUXEJ-UHFFFAOYSA-N;   N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate;   N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate;   SMILES=CS(O)(=O)=O.CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12;   hycanthone methanesulfonate;   hycanthone methanesulphonate;   hycanthone monomesylate;   hycanthone monomethanesulfonate;   hycanthone monomethanesulphonate
 xref: CAS:23255-93-8;   KEGG:C19432;   PMID:1206768;   PMID:1618027;   PMID:2266978;   PMID:2499511;   PMID:2503417;   PMID:3104567;   PMID:6408464;   PMID:6815525;   PMID:8375330;   Reaxys:4096157

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  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          genotoxin 0
            mutagen 0
              hycanthone mesylate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        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
                                                  hycanthone mesylate 0
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