AMITRAZ

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Synonyms
UNII 33IAH5017S
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key QXAITBQSYVNQDR-ZIOPAAQOSA-N
Smiles CN(\C=N\c1ccc(C)cc1C)\C=N\c2ccc(C)cc2C
InChI
InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N3
Molecular Weight 293.41
AlogP 4.83
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 27.96
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Resistant ratio, LC50 for Tetranychus urticae FPY 14 (two-spotted spider mite) to LC50 for Tetranychus urticae GSS Tetranychus urticae 2.78
Insecticidal activity against Tetranychus urticae FPY 14 (two-spotted spider mite) assessed as mortality at 26 +/- 2 degC with 60 +/- 5% RH for first 24 hr Tetranychus urticae 167.13 mgAi/L
Insecticidal activity against Tetranychus urticae GSS (two-spotted spider mite) assessed as mortality at 26 +/- 2 degC with 60 +/- 5% RH for first 24 hr Tetranychus urticae 60.07 mgAi/L
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 400 mg a.i./l, po administered through pollen for 11 weeks measured once a week for 11 weeks Bombus terrestris 50.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 400 mg a.i./l, po administered through sugar water for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as reduction in reproduction at 400 mg a.i./l applied on the dorsal thorax for 11 weeks measured once a week for 11 weeks relative to control Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 400 mg a.i./l, po administered through pollen for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 90.0 %
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 400 mg a.i./l, po administered through sugar water measured up to 1 week Bombus terrestris None
Toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 400 mg a.i./l, po administered through sugar water for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 95.0 %
Contact toxicity against worker Bombus terrestris (bumblebee) assessed as mortality at 400 mg a.i./l applied on the dorsal thorax for 11 weeks measured everyday for 3 days followed by once a week for 11 weeks Bombus terrestris 25.0 %
Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation at < 1 umol incubated for 20 min Chilo suppressalis None
Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation at 10 uM incubated for 20 min Chilo suppressalis None

Cross References

Resources Reference
ChEMBL CHEMBL1365675
FDA SRS 33IAH5017S
SureChEMBL SCHEMBL37309
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