desmedipham

Identification (Source:EPA,EU)

ID 891
Name desmedipham
CAS 13684-56-5
IUPAC ethyl 3-phenylcarbamoyloxycarbanilate
Inchi InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
CIPAC 477
EPA Code 104801
Formula C16H16N2O4
SMILES O=C(Oc1cccc(c1)NC(=O)OCC)Nc2ccccc2
Status Approved

Classification

Mode of Action Selective, systemic, absorbed through leaves. Inhibits photosynthesis (photosystem II).
Pesticide Type Herbicide
Chemical Group Bis-carbamate
Classification carbanilate herbicides

Properties (Source:PubChem)

Molecular Weight 300.31
Physical State Colourless crystals
AlogP 3.282
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 288.49
Polar Surface Area 76.66

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 Chronic 96 hour NOEC, growth 0.01 mg l-1
Algae Acute 72 hour EC50, growth 0.01 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.45 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.01 mg l-1
Aquatic plants Acute 7 day EC50, biomass > 5.2 mg l-1
Birds Acute LD50 > 2000 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg feed
Earthworms Acute 14 day LD50 > 79 mg kg-1
Fish Chronic 21 day NOEC 0.2 mg l-1
Fish Acute 96 hour LC50 0.25 mg l-1
Honeybees Acute 48 hour LD50 > 25 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 50 ppm diet
Mammals Short term dietary NOEL 3 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 1.0 mg kg-1
Bio-concentration factor BCF 157
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
P52 83(1,1,1,3) Details
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