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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: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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Term Annotations click to browse term
  CHEBI ontology 24513
    role 24424
      application 23838
        pharmaceutical 23407
          drug 23407
            antipyretic 11767
              bumadizone calcium hemihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24513
    subatomic particle 24471
      composite particle 24471
        hadron 24471
          baryon 24471
            nucleon 24471
              atomic nucleus 24471
                atom 24471
                  main group element atom 24327
                    p-block element atom 24327
                      carbon group element atom 24112
                        carbon atom 24074
                          organic molecular entity 24074
                            organic ion 8778
                              organic anion 3177
                                carboxylic acid anion 2471
                                  monocarboxylic acid anion 1567
                                    bumadizone(1-) 0
                                      bumadizone calcium 0
                                        bumadizone calcium hemihydrate 0
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