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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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  CHEBI ontology 240
    role 240
      application 193
        pharmaceutical 190
          drug 190
            antipyretic 7
              bumadizone calcium hemihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 240
    subatomic particle 240
      composite particle 240
        hadron 240
          baryon 240
            nucleon 240
              atomic nucleus 240
                atom 240
                  main group element atom 233
                    p-block element atom 233
                      carbon group element atom 222
                        carbon atom 221
                          organic molecular entity 221
                            organic ion 18
                              organic anion 7
                                carboxylic acid anion 5
                                  monocarboxylic acid anion 3
                                    bumadizone(1-) 0
                                      bumadizone calcium 0
                                        bumadizone calcium hemihydrate 0
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