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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with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.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 19834
    role 19810
      biological role 19808
        aetiopathogenetic role 19185
          genotoxin 17672
            mutagen 17592
              hycanthone mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      chalcogen 19537
                        oxygen atom 19511
                          oxygen molecular entity 19511
                            hydroxides 19321
                              oxoacid 18742
                                chalcogen oxoacid 13764
                                  sulfur oxoacid 13552
                                    sulfonic acid 11590
                                      sulfo group 9913
                                        organosulfonic acid 9913
                                          alkanesulfonic acid 4006
                                            methanesulfonic acid 3996
                                              methanesulfonates 3993
                                                methanesulfonate salt 2
                                                  hycanthone mesylate 0
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