EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133321 - acetoprole

ChEBI IDCHEBI:133321
ChEBI Nameacetoprole
Stars
DefinitionA 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.
Last Modified19 September 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H10Cl2F3N3O2S
Net Charge0
Average Mass400.209
Monoisotopic Mass398.98229
SMILESCC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O
InChIInChI=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
InChIKeyGDZNYEZGJAFIKA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Applications:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-[5-amino-1-(2,6-dichloro-α,α,α-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl]ethanoneAlan Wood's Pesticides
1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl]ethanoneAlan Wood's Pesticides
acétoproleChEBI
Manual XrefsDatabases
acetoproleAlan Wood's Pesticides
2696PPDB
Registry NumbersSources
Reaxys:15730946Reaxys
CAS:209861-58-5Alan Wood's Pesticides
CAS:209861-58-5ChemIDplus