coumatetralyl

Identification (Source:EPA,EU)

ID 1769
Name coumatetralyl
CAS 5836-29-3
IUPAC
Inchi InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2
CIPAC 189
EPA Code
Formula C19H16O3
SMILES O=C\1c4c(OC(/O)=C/1C3c2ccccc2CCC3)cccc4
Status Not Approved

Classification

Mode of Action 1st generation anticoagulant, blocks formation of prothrombin, inhibits blood coagulation causing death by internal haemorrhage
Pesticide Type Rodenticide
Chemical Group Coumarin anticoagulant
Classification coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight 292.33
Physical State Colourless crystals
AlogP 4.584
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 264.02
Polar Surface Area 46.53

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 18 mg l-1
Aquatic invertebrates Acute 48 hour EC50 14 mg l-1
Birds Acute LD50 2000 mg kg-1
Fish Acute 96 hour LC50 48 mg l-1
Mammals Acute oral LD50 16.5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 174

Related targets

Target Name RScore (About this table)
prothrombin 6(0,0,1,1) Details
C18 3(0,0,0,3) Details
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