difenzoquat

Identification (Source:EPA,EU)

ID 1046
Name difenzoquat
CAS 49866-87-7
IUPAC 1,2-dimethyl-3,5-diphenylpyrazolium
Inchi InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
CIPAC 367
EPA Code 106401
Formula C17H17N2
SMILES [O-]S(=O)(=O)OC.c3cc(c1cc([n+](n1C)C)c2ccccc2)ccc3
Status Not Approved

Classification

Mode of Action Selective, absorbed by foliage. Acts via the rapid destruction of cell membranes.
Pesticide Type Herbicide, Fungicide
Chemical Group Unclassified
Classification quaternary ammonium herbicides
pyrazole herbicides

Properties (Source:PubChem)

Molecular Weight 360.43
Physical State Colourless crystals
AlogP 4.338
H-Bond Donor 0
H-Bond Acceptor 0
Surface Area 251.59
Polar Surface Area 8.8

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 0.54 mg l-1
Aquatic invertebrates Acute 48 hour EC50 2.63 mg l-1
Birds Acute LD50 4640 mg kg-1
Earthworms Acute 14 day LD50 400 mg kg-1
Fish Acute 96 hour LC50 694 mg l-1
Honeybees Acute 48 hour LD50 36 μg bee-1
Mammals Acute oral LD50 373 mg kg-1
Mammals Short term dietary NOEL 500 ppm diet
Bio-concentration factor BCF 20
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
C18 1(0,0,0,1) Details
TRR1 1(0,0,0,1) Details
TRR2 1(0,0,0,1) Details
Cl 2 1(0,0,0,1) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;