CHEBI:83489 - fipronil-desulfinyl

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ChEBI Name fipronil-desulfinyl
ChEBI ID CHEBI:83489
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H4Cl2F6N4
Net Charge 0
Average Mass 389.08300
Monoisotopic Mass 387.97172
InChI InChI=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
InChIKey JWKXVHLIRTVXLD-UHFFFAOYSA-N
SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)C(F)(F)F
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
8086492 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19424647 PubMed citation Europe PMC
20364247 PubMed citation Europe PMC
24360469 PubMed citation Europe PMC
Last Modified
12 November 2014