diphacinone

Identification (Source:EPA,EU)

ID 1776
Name diphacinone
CAS 82-66-6
IUPAC 2-(diphenylacetyl)indan-1,3-dione
Inchi InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
CIPAC 131
EPA Code 067701
Formula C23H16O3
SMILES O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4
Status Not Approved

Classification

Mode of Action Anti-coagulant with longer activity than warfarin
Pesticide Type Rodenticide
Chemical Group Indandione anticoagulant
Classification indandione rodenticides

Properties (Source:PubChem)

Molecular Weight 340.37
Physical State Pale yellow powder
AlogP 4.225
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 312.7
Polar Surface Area 51.21

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
Aquatic invertebrates Acute 48 hour EC50 1.8 mg l-1
Birds Acute LD50 3158 mg kg-1
Fish Acute 96 hour LC50 2.8 mg l-1
Mammals Acute oral LD50 2.3 mg kg-1
Mammals Short term dietary NOEL 0.1 ppm diet

Related targets

Target Name RScore (About this table)
prothrombin 37(0,1,2,2) Details
thromboplastin 31(0,1,1,1) Details
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