CHEBI:87535 - chloroprallethrin

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ChEBI Name chloroprallethrin
ChEBI ID CHEBI:87535
Definition A carboxylic ester obtained by formal condensation between the carboxy group of (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid and the hydroxy group of (4S)-4-hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H18Cl2O3
Net Charge 0
Average Mass 341.22900
Monoisotopic Mass 340.06330
InChI InChI=1S/C17H18Cl2O3/c1-5-6-10-9(2)13(8-12(10)20)22-16(21)15-11(7-14(18)19)17(15,3)4/h1,7,11,13,15H,6,8H2,2-4H3/t11-,13+,15+/m1/s1
InChIKey RQNZCZHWQZMZER-ZLDLUXBVSA-N
SMILES CC1=C(CC#C)C(=O)C[C@@H]1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C
Roles Classification
Biological Role(s): pyrethroid ester insecticide

Application(s): pyrethroid ester insecticide

agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing chloroprallethrin (CHEBI:87535) has role agrochemical (CHEBI:33286)
chloroprallethrin (CHEBI:87535) has role pyrethroid ester insecticide (CHEBI:39116)
chloroprallethrin (CHEBI:87535) is a cyclic ketone (CHEBI:3992)
chloroprallethrin (CHEBI:87535) is a cyclopropanecarboxylate ester (CHEBI:50351)
chloroprallethrin (CHEBI:87535) is a enone (CHEBI:51689)
chloroprallethrin (CHEBI:87535) is a organochlorine compound (CHEBI:36683)
chloroprallethrin (CHEBI:87535) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
(1S)-2-methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Synonym Source
(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-enyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate Alan Wood's Pesticides
Manual Xref Database
chloroprallethrin Alan Wood's Pesticides
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Registry Numbers Types Sources
19055374 Reaxys Registry Number Reaxys
399572-87-3 CAS Registry Number ChemIDplus
Last Modified
28 October 2016