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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:temozolomide
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Accession:CHEBI:72564 term browser browse the term
Definition:An imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma.
Synonyms:related_synonym: 3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide;   3,4-dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide;   3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide;   8-carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one;   BRN 5547136;   CCRG-81045;   CCRIS 8996;   Formula=C6H6N6O2;   InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13);   InChIKey=BPEGJWRSRHCHSN-UHFFFAOYSA-N;   M&B 39831;   MB 39831;   NSC 362856;   SMILES=Cn1nnc2c(ncn2c1=O)C(N)=O;   Sch 52365;   TMZ;   Temodal;   Temodar;   methazolastone;   temozolomida;   temozolomidum
 xref: CAS:85622-93-1;   DrugBank:DB00853;   Drug_Central:2589;   HMDB:HMDB0014991;   KEGG:D06067;   LINCS:LSM-4590
 xref_mesh: MESH:C047246
 xref: PMID:22680781;   PMID:22818211;   PMID:23246370;   PMID:23254891;   PMID:23293540;   PMID:23335050;   PMID:23362460;   PMID:23377829;   PMID:23385995;   PMID:23389760;   Patent:DE3231255;   Reaxys:5547136;   Wikipedia:Temozolomide

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  CHEBI ontology 0
    role 0
      application 0
        pro-agent 0
          prodrug 0
            temozolomide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              monocarboxylic acid amide 0
                                                temozolomide 0
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