topramezone

Identification (Source:EPA,EU)

ID 1001
Name topramezone
CAS 210631-68-8
IUPAC
Inchi InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3
CIPAC 800
EPA Code 123009
Formula C16H17N3O5S
SMILES Oc1n(C)ncc1C(=O)c2ccc(c(c2C)C=3CCON=3)S(C)(=O)=O
Status PENDING

Classification

Mode of Action Systemic, highly selective, rapidly absorbed and translocated
Pesticide Type Herbicide
Chemical Group Benzoylpyrazole
Classification benzoylpyrazole herbicides
oxazole herbicides

Properties (Source:PubChem)

Molecular Weight 363.39
Physical State White crystalline solid
AlogP -0.74
H-Bond Donor 2
H-Bond Acceptor 7
Surface Area 328.18
Polar Surface Area 113.18

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 Chronic 96 hour NOEC, growth 3 mg l-1
Algae Acute 72 hour EC50, growth 17.2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 100 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 97.5 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.009 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 1085 mg/kg bw/day
Earthworms Chronic 14 day NOEC, reproduction 0.672 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 > 100 mg l-1
Fish Chronic 21 day NOEC 0.01 mg l-1
Honeybees Acute 48 hour LD50 > 72.05 μg bee-1
Mammals Acute oral LD50 > 2000 mg kg-1
Mammals Short term dietary NOEL 0.5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 0.3

Related targets

Target Name RScore (About this table)
4 hydroxyphenylpyruvate dioxygenase 162(2,2,2,2) Details
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