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 oxazole herbicides
benzoylpyrazole 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



ChemMapper Search Option (Docunmentation of ChemMapper)

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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