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


go back to main search page
Accession:CHEBI:4034 term browser browse the term
Definition:A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile.
Synonyms:exact_synonym: cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
 related_synonym: (R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;   Formula=C22H18Cl2FNO3;   InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3;   InChIKey=QQODLKZGRKWIFG-UHFFFAOYSA-N;   SMILES=CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
 xref: Beilstein:2788149 "Beilstein";   CAS:68359-37-5 "ChemIDplus";   CAS:68359-37-5 "KEGG COMPOUND";   Drug_Central:4407 "DrugCentral";   KEGG:C10982;   KEGG:D07761
 xref_mesh: MESH:C052570
 xref: PMID:17912691 "Europe PMC";   PMID:18383791 "Europe PMC";   PPDB:192;   Patent:DE2709264;   Patent:US4218469;   Patent:US4287208;   Reaxys:2788149 "Reaxys"

show annotations for term's descendants       view all columns           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 833
    role 810
      application 439
        agrochemical 56
          cyfluthrin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 833
    subatomic particle 817
      composite particle 817
        hadron 817
          baryon 817
            nucleon 817
              atomic nucleus 817
                atom 817
                  main group element atom 805
                    p-block element atom 802
                      carbon group element atom 773
                        carbon atom 769
                          organic molecular entity 769
                            organic group 355
                              organic divalent group 353
                                organodiyl group 353
                                  carbonyl group 352
                                    carbonyl compound 352
                                      carboxylic acid 238
                                        monocarboxylic acid 131
                                          cyclopropanecarboxylic acid 0
                                            3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid 0
                                              cyfluthrin 0
paths to the root


RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.