CHEBI:39400 - tralomethrin

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ChEBI Name tralomethrin ChEBI ID CHEBI:39400 Definition A carboxylic ester resulting from the formal condensation between (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid and the alcoholic hydroxy group of (2S)-hydroxy(3-phenoxyphenyl)acetonitrile. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C22H19Br4NO3 Net Charge 0 Average Mass 665.00720 Monoisotopic Mass 660.80984 InChI InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17-,18+,19?/m1/s1 InChIKey YWSCPYYRJXKUDB-KAKFPZCNSA-N SMILES CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 Roles Classification Biological Role(s): pyrethroid ester insecticide Application(s): pyrethroid ester insecticide View more via ChEBI Ontology ChEBI Ontology Outgoing tralomethrin (CHEBI:39400) has functional parent (1R)-cis-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylic acid (CHEBI:39401) tralomethrin (CHEBI:39400) has role pyrethroid ester insecticide (CHEBI:39116) tralomethrin (CHEBI:39400) is a aromatic ether (CHEBI:35618) tralomethrin (CHEBI:39400) is a carboxylic ester (CHEBI:33308) tralomethrin (CHEBI:39400) is a cyclopropanes (CHEBI:51454) tralomethrin (CHEBI:39400) is a nitrile (CHEBI:18379) tralomethrin (CHEBI:39400) is a organobromine compound (CHEBI:37141) IUPAC Name (S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)cyclopropanecarboxylate Synonyms Sources (S)-alpha-cyano-3-phenoxybenzyl (1R)-cis-2,2-dimethyl-3-((RS)-1,2,2,2-tetrabromoethyl)-cyclopropanecarboxylate ChemIDplus [(1R,3S)-3-((1'RS)-1',2',2',2'-tetrabromoethyl)]-2,2-dimethylcyclopropanecarboxylic acid (S)-α-cyano-3-phenoxybenzyl ester ChEBI EPA Pesticide Chemical Code 121501 ChemIDplus tralomethrine ChemIDplus Manual Xrefs Databases 647 VSDB 647 PPDB BE873201 Patent C18413 KEGG COMPOUND tralomethrin Alan Wood's Pesticides Tralomethrin Wikipedia US4279835 Patent View more database links Registry Numbers Types Sources 66841-25-6 CAS Registry Number KEGG COMPOUND 66841-25-6 CAS Registry Number ChemIDplus 8444068 Reaxys Registry Number Reaxys Citations Types Sources 12452649 PubMed citation Europe PMC 15884838 PubMed citation Europe PMC 1688021 PubMed citation Europe PMC 2882930 PubMed citation Europe PMC IND91030854 Agricola citation Europe PMC Last Modified 25 July 2018