barban

Identification (Source:EPA,EU)

ID 884
Name barban
CAS 101-27-9
IUPAC 4-chlorobut-2-ynyl 3-chlorocarbanilate
Inchi InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
CIPAC 134
EPA Code 017601
Formula C11H9Cl2NO2
SMILES Clc1cc(NC(=O)OCC#CCCl)ccc1
Status Not Approved

Classification

Mode of Action Herbicidal action is due to anti-mitotic effects, reducing plant cellular division and so retarding shoot growth
Pesticide Type Herbicide
Chemical Group Carbamate
Classification carbanilate herbicides

Properties (Source:PubChem)

Molecular Weight 258.10
Physical State Solid
AlogP 3.513
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 237.78
Polar Surface Area 38.33

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 10.0 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.30 mg l-1
Fish Acute 96 hour LC50 0.53 mg l-1
Mammals Acute oral LD50 527 mg kg-1
Bio-concentration factor BCF 2.2

Related targets

Target Name RScore (About this table)
immunoglobulin (protein family or complex) 20(0,0,0,20) Details
CYP2C9 10(0,0,0,10) Details
VKORC1 10(0,0,0,10) Details
PP1 5(0,0,0,5) Details
protein phosphatases 4(0,0,0,4) Details
PP2A 4(0,0,0,4) Details
calmodulin 3(0,0,0,3) Details
HLA D 2(0,0,0,2) Details
NS1 2(0,0,0,2) Details
prothrombin 2(0,0,0,2) Details
interferon (protein family or complex) 2(0,0,0,2) Details
complex I 2(0,0,0,2) Details
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