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CHEBI:83489 - fipronil-desulfinyl

ChEBI IDCHEBI:83489
ChEBI Namefipronil-desulfinyl
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, trifluoromethyl, and amino groups, respectively.
Last Modified12 November 2014
DownloadsMolfile
FormulaC12H4Cl2F6N4
Net Charge0
Average Mass389.086
Monoisotopic Mass387.97172
SMILESN#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(F)(F)F
InChIInChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2
InChIKeyJWKXVHLIRTVXLD-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
fipronil-desulfinyl (CHEBI:83489) has role marine xenobiotic metabolite (CHEBI:83399)
fipronil-desulfinyl (CHEBI:83489) is a (trifluoromethyl)benzenes (CHEBI:83565)
fipronil-desulfinyl (CHEBI:83489) is a dichlorobenzene (CHEBI:23697)
fipronil-desulfinyl (CHEBI:83489) is a nitrile (CHEBI:18379)
fipronil-desulfinyl (CHEBI:83489) is a pyrazoles (CHEBI:26410)
IUPAC Name 
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile
Registry NumbersSources
Reaxys:8086492Reaxys
Citations