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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:ziprasidone mesylate trihydrate
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Accession:CHEBI:53757 term browser browse the term
Definition:The methanesulfonate trihydrate salt of ziprasidone.
Synonyms:related_synonym: Formula=C22H31ClN4O7S2;   InChI=1S/C21H21ClN4OS.CH4O3S.3H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2;   InChIKey=WLQZEFFFIUHSJB-UHFFFAOYSA-N;   SMILES=O.O.O.CS(O)(=O)=O.Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12;   Ziprasidone mesylate;   Ziprasidone mesylate hydrate
 xref: CAS:199191-69-0;   DrugBank:DB00246;   KEGG:D02100

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  CHEBI ontology 0
    role 0
      chemical role 0
        greenhouse gas 0
          water 0
            hydrate 0
              ziprasidone mesylate trihydrate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
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          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
                                                  ziprasidone mesylate trihydrate 0
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