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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:metamizole
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Accession:CHEBI:62088 term browser browse the term
Definition:A pyrazole that is antiipyrine substituted at C-4 by a methyl(sulfomethyl)amino group, the sodium salt of which, metamizole sodium, was widely used as a powerful analgesic and antipyretic, but withdrawn from many markets from the 1970s due to a risk of causing risk of causing agranulocytosis.
Synonyms:exact_synonym: [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonic acid
 related_synonym: (antipyrinylmethylamino)methanesulfonic acid;   Formula=C13H17N3O4S;   InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20);   InChIKey=LVWZTYCIRDMTEY-UHFFFAOYSA-N;   N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-N-methylaminomethanesulfonic acid;   SMILES=CN(CS(O)(=O)=O)c1c(C)n(C)n(-c2ccccc2)c1=O;   [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonic acid;   metamizol;   metamizolum
 xref: CAS:50567-35-6;   Drug_Central:4659;   KEGG:D08188;   LINCS:LSM-5839;   Reaxys:327442
 cyclic_relationship: is_conjugate_acid_of CHEBI:62086


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      biological role 19737
        xenobiotic 18406
          antipyrine 3
            metamizole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19483
                              organic cyclic compound 19252
                                organic heterocyclic compound 18422
                                  heteroarene 16462
                                    monocyclic heteroarene 13315
                                      azole 12480
                                        diazole 8135
                                          pyrazoles 1298
                                            pyrazolone 76
                                              antipyrine 3
                                                metamizole 0
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