Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21720
    role 21698
      application 21210
        pharmaceutical 20719
          drug 20719
            antipyretic 11518
              bumadizone calcium hemihydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21720
    subatomic particle 21706
      composite particle 21706
        hadron 21706
          baryon 21706
            nucleon 21706
              atomic nucleus 21706
                atom 21706
                  main group element atom 21621
                    p-block element atom 21621
                      carbon group element atom 21426
                        carbon atom 21327
                          organic molecular entity 21327
                            organic ion 8621
                              organic anion 3094
                                carboxylic acid anion 2439
                                  monocarboxylic acid anion 1513
                                    bumadizone(1-) 0
                                      bumadizone calcium 0
                                        bumadizone calcium hemihydrate 0
paths to the root