clethodim

Identification (Source:EPA,EU)

ID 899
Name clethodim
CAS 99129-21-2
IUPAC
Inchi InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?
CIPAC 508
EPA Code 121011
Formula C17H26ClNO3S
SMILES O=C1/C(C(=O)CC(CC(SCC)C)C1)=C(\NOCC=CCl)CC
Status Approved

Classification

Mode of Action Selective, systemic. An acetyl CoA carboxylase inhibitor (ACCase).
Pesticide Type Herbicide
Chemical Group Cyclohexanedione
Classification cyclohexene oxime herbicides

Properties (Source:PubChem)

Molecular Weight 359.92
Physical State Viscous amber to green coloured liquid depending upon purity
AlogP 2.556
H-Bond Donor 1
H-Bond Acceptor 5
Surface Area 360.23
Polar Surface Area 80.7

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 Acute 72 hour EC50, growth > 12.0 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 49 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 100 mg l-1
Aquatic plants Acute 7 day EC50, biomass 1.9 mg l-1
Birds Short term dietary LC50/LD50 > 851 mg/kg bw/day
Birds Acute LD50 > 1640 mg kg-1
Earthworms Acute 14 day LD50 454 mg kg-1
Fish Acute 96 hour LC50 25 mg l-1
Fish Chronic 21 day NOEC 3.9 mg l-1
Honeybees Acute 48 hour LD50 > 43 μg bee-1
Mammals Acute oral LD50 1133 mg kg-1
Mammals Short term dietary NOEL 30 mg kg-1
Bio-concentration factor CT50 4.9 days
Bio-concentration factor BCF 2.1

Related targets

Target Name RScore (About this table)
acetolactate synthase 1(0,0,0,1) Details
transferase 1(0,0,0,1) Details
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