FIPRONIL SULFONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H4Cl2F6N4O2S
Molecular Weight	453.147
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FIPRONIL SULFONE

Structure Search

SMILES

NC1=C(C(=NN1C2=C(Cl)C=C(C=C2Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F

InChI

InChIKey=LGHZJDKSVUTELU-UHFFFAOYSA-N

InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2

HIDE SMILES / InChI

Molecular Formula	C12H4Cl2F6N4O2S
Molecular Weight	453.147
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
CYP450-dependent biotransformation of the insecticide fipronil into fipronil sulfone can mediate fipronil-induced thyroid disruption in rats.	2012 May	22447239

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:18:25 UTC 2023` Edited by `admin` on `Fri Dec 15 18:18:25 UTC 2023`
Record UNII	KE7T0T1PQ7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FIPRONIL SULFONE

Common Name

English

5-AMINO-1-(2,6-DICHLORO-4-TRIFLUORMETHYLPHENYL)-3-CYANO-4-TRIFLUOROMETHYLSULFONYLPYRAZOLE

Common Name

English

1H-PYRAZOLE-3-CARBONITRILE, 5-AMINO-1-(2,6-DICHLORO-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

605555

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

Code System Code Type Description

PUBCHEM

3078139

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

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SMS_ID

300000023795

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

PRIMARY

CAS

120068-36-2

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

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FDA UNII

KE7T0T1PQ7

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID6074750

Created by admin on Fri Dec 15 18:18:25 UTC 2023 , Edited by admin on Fri Dec 15 18:18:25 UTC 2023

PRIMARY

Related Record Type Details


					QGH063955F

FIPRONIL

PARENT -> METABOLITE

Amount: