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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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:bumadizone calcium hemihydrate
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Accession:CHEBI:76122 term browser browse the term
Definition:A hydrate that is the hemihydrate form of bumadizone calcium. Used for treatment of rheumatoid arthritis.
Synonyms:exact_synonym: calcium 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate hydrate (2/4/1)
 related_synonym: Butylmalonic acid mono(1,2-diphenylhydrazide) calcium salt hemihydrate;   Formula=C76H86Ca2N8O13;   InChI=1S/4C19H22N2O3.2Ca.H2O/c4*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;;;/h4*4-13,17,20H,2-3,14H2,1H3,(H,23,24);;;1H2/q;;;;2*+2;/p-4;   InChIKey=JQQZVABVKIDEFR-UHFFFAOYSA-J;   N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate;   SMILES=O.[Ca++].[Ca++].CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1;   bumadizone calcium salt hemihydrate;   bumadizone calcium salt semihydrate;   bumadizone calcium semihydrate
 xref: CAS:69365-73-7;   KEGG:D07549;   PMID:22222555;   PMID:6894380;   Reaxys:6472262;   Wikipedia:Bumadizone

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  CHEBI ontology 19781
    role 19726
      application 19412
        pharmaceutical 19312
          drug 19312
            antipyretic 11244
              bumadizone calcium hemihydrate 0
Path 2
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  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic ion 8462
                              organic anion 3034
                                carboxylic acid anion 2394
                                  monocarboxylic acid anion 1499
                                    bumadizone(1-) 0
                                      bumadizone calcium 0
                                        bumadizone calcium hemihydrate 0
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