alpha-endosulfan

Identification (Source:EPA,EU)

ID 1478
Name alpha-endosulfan
CAS 959-98-8
IUPAC
Inchi InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?
CIPAC 89
EPA Code
Formula C9H6Cl6O3S
SMILES Cl\C1=C(/Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C3COS(=O)OC2
Status Not Available

Classification

Mode of Action Non-systemic with contact and stomach action, acts as a non-competitive GABA antagonist
Pesticide Type Insecticide, Acaricide
Chemical Group Organochlorine
Classification cyclodiene insecticides

Properties (Source:PubChem)

Molecular Weight 406.93
Physical State Brown crystals
AlogP 2.641
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 304.29
Polar Surface Area 54.74

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 2.15 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.24 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.44 mg l-1
Birds Acute LD50 111 mg kg-1
Earthworms Acute 14 day LD50 14 mg kg-1
Fish Acute 96 hour LC50 0.002 mg l-1
Honeybees Acute 48 hour LD50 7.81 μg bee-1
Mammals Acute oral LD50 38 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.1 mg l-1
Bio-concentration factor BCF 2755
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
GABA receptor (protein family or complex) 97(1,1,1,17) Details
glycine receptor (protein family or complex) 88(1,1,1,8) Details
CS5 88(1,1,1,8) Details
CYP3A 84(1,1,1,4) Details
CYP2B6 83(1,1,1,3) Details
CYP3A5 82(1,1,1,2) Details
beta is 81(1,1,1,1) Details
GABA at 81(1,1,1,1) Details
ATPase 34(0,1,1,4) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

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