novaluron

Identification (Source:EPA,EU)

ID 1418
Name novaluron
CAS 116714-46-6
IUPAC
Inchi InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
CIPAC 672
EPA Code 124002
Formula C17H9ClF8N2O4
SMILES Clc1cc(ccc1OC(F)(F)C(F)OC(F)(F)F)NC(=O)NC(=O)c2c(F)cccc2F
Status Not Approved

Classification

Mode of Action A chitin synthesis inhibitor, with stomach action and some contact activity
Pesticide Type Insecticide
Chemical Group Benzoylurea
Classification chitin synthesis inhibitors
benzoylphenylurea chitin synthesis inhibitors

Properties (Source:PubChem)

Molecular Weight 492.70
Physical State Pale pink to white powder
AlogP 6.799
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 388.79
Polar Surface Area 76.66

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 9.68 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00003 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.058 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.075 mg l-1
Birds Short term dietary LC50/LD50 > 5200 mg/kg feed
Birds Acute LD50 > 2000 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 3.0 mg kg-1
Fish Acute 96 hour LC50 > 1.0 mg l-1
Fish Chronic 21 day NOEC 0.00616 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 1176 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.04 mg kg-1
Bio-concentration factor CT50 7.3 days
Bio-concentration factor BCF 2091

Related targets

Target Name RScore (About this table)
C18 6(0,0,1,1) Details
GABA receptor (protein family or complex) 3(0,0,0,3) Details
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Node List

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