acetoprole (CHEBI:133321)

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ChEBI Name	acetoprole

ChEBI ID	CHEBI:133321

Definition	A phenylpyrazole insecticide that is 3-acetyl-1H-pyralole which is substituted at positions 1, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, methylsulfinyl, and amino groups, respectively. A GABA-gated chloride channel antagonist, it was formerly used as an insecticide and acaricide for the control of sucking and chewing insect pests.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H10Cl2F3N3O2S

Net Charge

Average Mass

400.205

Monoisotopic Mass

398.98229

InChI

InChI=1S/C13H10Cl2F3N3O2S/c1-5(22)9-11(24(2)23)12(19)21(20-9)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,19H2,1-2H3

InChIKey

GDZNYEZGJAFIKA-UHFFFAOYSA-N

SMILES

C=1C(=C(C(=CC1C(F)(F)F)Cl)N2N=C(C(=O)C)C(=C2N)S(=O)C)Cl

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	GABA-gated chloride channel antagonist

Application(s):	acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). nematicide A substance used to destroy pests of the phylum Nematoda (roundworms). insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. (via phenylpyrazole insecticide )

ChEBI Ontology
Outgoing	acetoprole (CHEBI:133321) has role acaricide (CHEBI:22153) acetoprole (CHEBI:133321) has role GABA-gated chloride channel antagonist (CHEBI:38999) acetoprole (CHEBI:133321) has role nematicide (CHEBI:25491) acetoprole (CHEBI:133321) is a (trifluoromethyl)benzenes (CHEBI:83565) acetoprole (CHEBI:133321) is a aromatic ketone (CHEBI:76224) acetoprole (CHEBI:133321) is a dichlorobenzene (CHEBI:23697) acetoprole (CHEBI:133321) is a phenylpyrazole insecticide (CHEBI:39090) acetoprole (CHEBI:133321) is a primary amino compound (CHEBI:50994) acetoprole (CHEBI:133321) is a sulfoxide (CHEBI:22063)

IUPAC Name

1-{5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl}ethanone

Synonyms	Sources
1-[5-amino-1-(2,6-dichloro-α,α,α-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl]ethanone	Alan Wood's Pesticides
1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl]ethanone	Alan Wood's Pesticides
acétoprole	ChEBI

Last Modified

19 September 2016