carbendazim

Identification (Source:EPA,EU)

ID 493
Name carbendazim
CAS 10605-21-7
IUPAC methyl benzimidazol-2-ylcarbamate
Inchi InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
CIPAC 263
EPA Code 115001/128872
Formula C9H9N3O2
SMILES COC(=O)NC1=NC2=CC=CC=C2N1
Status Approved

Classification

Mode of Action Systemic with curative and protectant activity. Inhibition of mitosis and cell division.
Pesticide Type Fungicide, Metabolite
Chemical Group Benzimidazole
Classification benzimidazole fungicides
benzimidazolylcarbamate fungicides

Properties (Source:PubChem)

Molecular Weight 191.21
Physical State Colourless crystalline powder
AlogP 1.65
H-Bond Donor 2
H-Bond Acceptor 3
Surface Area 185.93
Polar Surface Area 67.01

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 > 7.7 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.086 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.15 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.0015 mg l-1
Birds Acute LD50 > 2250 mg kg-1
Birds Short term dietary LC50/LD50 615 mg/kg bw/day
Earthworms Chronic 14 day NOEC, reproduction 1.0 mg kg-1
Earthworms Acute 14 day LD50 5.4 mg kg-1
Fish Chronic 21 day NOEC 0.0032 mg l-1
Fish Acute 96 hour LC50 0.19 mg l-1
Honeybees Acute 48 hour LD50 > 50 μg bee-1
Mammals Acute oral LD50 > 10000 mg kg-1
Mammals Short term dietary NOEL > 100 ppm diet
Mammals Short term dietary NOEL > 10 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.0133 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 25

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 164(2,2,2,4) Details
androgen receptor 155(1,3,5,5) Details
SERS 150(1,3,4,5) Details
bcl 2 88(1,1,2,3) Details
microtubule associated proteins 82(1,1,1,2) Details
neural cell adhesion molecule 81(1,1,1,1) Details
CARB 78(0,2,3,13) Details
cytochrome P450 monooxygenase 31(0,1,1,1) Details
activin A 31(0,1,1,1) Details
alpha tubulin 29(0,0,4,9) Details
CYP1A1 19(0,0,2,9) Details
HC5 15(0,0,2,5) Details
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