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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with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.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 22210
    role 22195
      biological role 22194
        aetiopathogenetic role 21293
          genotoxin 19526
            mutagen 19430
              hycanthone mesylate 0
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  CHEBI ontology 22210
    subatomic particle 22202
      composite particle 22202
        hadron 22202
          baryon 22202
            nucleon 22202
              atomic nucleus 22202
                atom 22202
                  main group element atom 22136
                    p-block element atom 22136
                      chalcogen 21465
                        oxygen atom 21443
                          oxygen molecular entity 21443
                            hydroxides 20821
                              oxoacid 20141
                                chalcogen oxoacid 14387
                                  sulfur oxoacid 14172
                                    sulfonic acid 12011
                                      sulfo group 10345
                                        organosulfonic acid 10345
                                          alkanesulfonic acid 4036
                                            methanesulfonic acid 4025
                                              methanesulfonates 4022
                                                methanesulfonate salt 2
                                                  hycanthone mesylate 0
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