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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:nitroflurbiprofen
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Accession:CHEBI:77428 term browser browse the term
Definition:A carboxylic ester obtained by formal condensation of the carboxy group of flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2.
Synonyms:exact_synonym: 4-(nitrooxy)butyl 2-(2-fluorobiphenyl-4-yl)propanoate
 related_synonym: 4-(Nitrooxy)butyl 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetate;   Flurbinitroxybutylester;   Formula=C19H20FNO5;   InChI=1S/C19H20FNO5/c1-14(19(22)25-11-5-6-12-26-21(23)24)16-9-10-17(18(20)13-16)15-7-3-2-4-8-15/h2-4,7-10,13-14H,5-6,11-12H2,1H3;   InChIKey=DLWSRGHNJVLJAH-UHFFFAOYSA-N;   Nitroxybutyl flurbiprofen;   SMILES=C=1C=C(C=CC1)C2=C(F)C=C(C(C(=O)OCCCCO[N+](=O)[O-])C)C=C2
 xref: CAS:158836-71-6;   HMDB:HMDB0255648
 xref_mesh: MESH:C095631
 xref: PMID:11746392;   PMID:12835894;   PMID:14729123;   PMID:15202730;   PMID:15470334;   PMID:16491094;   PMID:17122968;   PMID:17258737;   PMID:17482436;   PMID:18465650;   PMID:18631321;   PMID:7495106;   PMID:7545516;   PMID:8528547;   PMID:8938015;   PMID:8982652;   PMID:9203938;   PMID:9343749;   PMID:9530274;   PMID:9974120;   Reaxys:8433798

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        anti-inflammatory agent 0
          anti-inflammatory drug 0
            non-steroidal anti-inflammatory drug 0
              nitroflurbiprofen 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
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          saturated fatty acid 0
                                            propionic acid 0
                                              flurbiprofen 0
                                                nitroflurbiprofen 0
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