oxabetrinil

Identification (Source:EPA,EU)

ID 760
Name oxabetrinil
CAS 94593-79-0
IUPAC
Inchi InChI=1S/C12H12N2O3/c13-8-11(10-4-2-1-3-5-10)14-17-9-12-15-6-7-16-12/h1-5,12H,6-7,9H2/b14-11+
CIPAC
EPA Code
Formula C12H12N2O3
SMILES O1CCOC1CO\N=C(/C#N)c1ccccc1
Status Not Available

Classification

Mode of Action Stimulates herbicide metabolism by inducing glutathione S-transferase
Pesticide Type Herbicide safener
Chemical Group Unclassifed (isomer mix)
Classification Herbicide safeners

Properties (Source:PubChem)

Molecular Weight 232.24
Physical State Colourless crystalline solid
AlogP 1.457
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 228.51
Polar Surface Area 63.84

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 10.7 mg l-1
Aquatic invertebrates Acute 48 hour EC50 8.5 mg l-1
Birds Acute LD50 2500 mg kg-1
Fish Acute 96 hour LC50 7.1 mg l-1
Honeybees Acute 48 hour LD50 20 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1

Related targets

Target Name RScore (About this table)
glutathione S transferase 101(1,1,3,11) Details
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