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isoxaben

Identification (Source:EPA,EU)

ID	782
Name	isoxaben
CAS	82558-50-7
IUPAC
Inchi	InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)
CIPAC	701
EPA Code	125851
Formula	C18H24N2O4
SMILES	O=C(Nc1onc(c1)C(CC)(C)CC)c2c(OC)cccc2OC
Status	Approved

Classification

Mode of Action	Selective, disrupts root and stem development in germinating seeds
Pesticide Type	Herbicide
Chemical Group	Benzamide
Classification	oxazole herbicides amide herbicides

Properties (Source:PubChem)

Molecular Weight	332.39
Physical State	Colourless crystalline solid or waxy powder
AlogP	3.901
H-Bond Donor	1
H-Bond Acceptor	4
Surface Area	350.07
Polar Surface Area	73.59

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	> 1.4 mg l-1
Algae	Chronic	96 hour	NOEC, growth	> 1.4 mg l-1
Aquatic invertebrates	Chronic	21 day	NOEC	0.69 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	> 1.3 mg l-1
Aquatic plants	Acute	7 day	EC50, biomass	0.011 mg l-1
Birds	Acute		LD50	> 2000 mg kg-1
Birds	Short term dietary		LC50/LD50	> 937 mg/kg bw/day
Earthworms	Acute	14 day	LD50	> 500 mg kg-1
Earthworms	Chronic	14 day	NOEC, reproduction	3.34 mg kg-1
Fish	Chronic	21 day	NOEC	0.87 mg l-1
Fish	Acute	96 hour	LC50	> 0.87 mg l-1
Honeybees	Acute	48 hour	LD50	> 100 μg bee-1
Mammals	Acute oral		LD50	> 10000 mg kg-1
Mammals	Short term dietary		NOEL	5.6 mg kg-1
Sediment dwelling organisms	Chronic	28 day	NOEC, sediment	8.0 mg kg-1
	Bio-concentration factor		BCF	70.5
	Bio-concentration factor		CT50	0.49 days

Related targets

Target Name	RScore (About this table)
KOR1	37(0,1,1,7)	Details
tissue transglutaminase	2(0,0,0,2)	Details
Smad 3	2(0,0,0,2)	Details
Koc	2(0,0,0,2)	Details
p21 protein	2(0,0,0,2)	Details

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