brodifacoum

Identification (Source:EPA,EU)

ID 1765
Name brodifacoum
CAS 56073-10-0
IUPAC
Inchi InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
CIPAC 370
EPA Code 112701
Formula C31H23BrO3
SMILES C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br
Status Not Approved

Classification

Mode of Action 2nd generation anticoagulant
Pesticide Type Rodenticide
Chemical Group Hydrocoumarin
Classification coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight 523.4
Physical State White powder
AlogP 8.135
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 434.83
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
Aquatic invertebrates Acute 48 hour EC50 0.98 mg l-1
Birds Acute LD50 0.31 mg kg-1
Fish Acute 96 hour LC50 0.051 mg l-1
Mammals Acute oral LD50 0.4 mg kg-1
Mammals Short term dietary NOEL 0.02 ppm diet
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
prothrombin 412(4,5,10,37) Details
vitamin K epoxide reductase 258(2,5,5,8) Details
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