aldicarb

Identification (Source:EPA,EU)

ID 138
Name aldicarb
CAS 116-06-3
IUPAC
Inchi InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)
CIPAC 215
EPA Code 098301
Formula C7H14N2O2S
SMILES O=C(O\N=C\C(SC)(C)C)NC
Status Not Approved

Classification

Mode of Action Systemic with contact and stomach action absorbed through roots. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide, Nematicide
Chemical Group Carbamate
Classification oxime carbamate nematicides
oxime carbamate acaricides
oxime carbamate insecticides

Properties (Source:PubChem)

Molecular Weight 190.26
Physical State White crystals
AlogP 0.98
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 213.15
Polar Surface Area 75.98

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 50 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.035 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.42 mg l-1
Birds Acute LD50 3.4 mg kg-1
Earthworms Acute 14 day LD50 65 mg kg-1
Fish Chronic 21 day NOEC 1.37 mg l-1
Fish Acute 96 hour LC50 0.56 mg l-1
Honeybees Acute 48 hour LD50 0.09 μg bee-1
Mammals Acute oral LD50 0.93 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 0.004 mg l-1
Bio-concentration factor BCF 42
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 2201(15,43,50,126) Details
anticholinesterase 745(5,13,17,85) Details
interleukin 1 205(2,3,5,5) Details
Koc 82(1,1,1,2) Details
cytochrome P450 monooxygenases 81(1,1,1,1) Details
monoamine oxidase 81(1,1,1,1) Details
muscles 74(0,2,2,14) Details
dystrophin 39(0,1,1,9) Details
calcium channel (protein family or complex) 34(0,1,1,4) Details
lnp 1 34(0,1,1,4) Details
CD8 34(0,1,1,4) Details
stn 1 33(0,1,1,3) Details
dystrobrevin 32(0,1,1,2) Details
gamma aminobutyric acid receptor (protein family or complex) 32(0,1,1,2) Details
cytochrome P450 2D6 32(0,1,1,2) Details
MS1 31(0,1,1,1) Details
C18 15(0,0,1,10) Details
Avian 12(0,0,2,2) Details
dynamin (protein family or complex) 11(0,0,1,6) Details
APPI 9(0,0,1,4) Details
ITSN 1 9(0,0,1,4) Details
ICA69 8(0,0,0,8) Details
DD5 8(0,0,1,3) Details
somatotropin 7(0,0,1,2) Details
acetylcholine receptors (protein family or complex) 6(0,0,0,6) Details
cytochrome P450 (protein family or complex) 6(0,0,0,6) Details
Bravo 6(0,0,1,1) Details
CD4 6(0,0,1,1) Details
glutathione transferase 6(0,0,1,1) Details
ha 1 6(0,0,1,1) Details
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