carbosulfan

Identification (Source:EPA,EU)

ID 1347
Name carbosulfan
CAS 55285-14-8
IUPAC 2,3-dihydro-2,2-dimethylbenzofuran-7-yl (dibutylaminothio)methylcarbamate
Inchi InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
CIPAC 417
EPA Code 090602
Formula C20H32N2O3S
SMILES c12c(CC(O2)(C)C)cccc1OC(N(SN(CCCC)CCCC)C)=O
Status Not Approved

Classification

Mode of Action Systemic with contact and stomach action. Acetylcholine esterase inhibitor.
Pesticide Type Insecticide, Nematicide
Chemical Group Carbamate
Classification carbamate nematicides
benzofuranyl methylcarbamate insecticides

Properties (Source:PubChem)

Molecular Weight 380.5
Physical State Orange-yellow viscous liquid
AlogP 5.402
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 397.43
Polar Surface Area 67.31

Structure



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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 47 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.0032 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0015 mg l-1
Birds Short term dietary LC50/LD50 3.99 mg/kg bw/day
Birds Acute LD50 10 mg kg-1
Earthworms Acute 14 day LD50 4.8 mg kg-1
Fish Acute 96 hour LC50 0.015 mg l-1
Fish Chronic 21 day NOEC 0.003 mg l-1
Honeybees Acute 48 hour LD50 0.18 μg bee-1
Mammals Acute oral LD50 101 mg kg-1
Mammals Short term dietary NOEL 1.2 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Bio-concentration factor CT50 0.09 days
Bio-concentration factor BCF 990

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 552(5,9,10,27) Details
CYP3A4 331(4,4,5,6) Details
CYP2C19 162(2,2,2,2) Details
CYP2B6 87(1,1,2,2) Details
CYP1A1 81(1,1,1,1) Details
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