fenbutatin oxide

Identification (Source:EPA,EU)

ID 256
Name fenbutatin oxide
CAS 13356-08-6
IUPAC bis[tris(2-methyl-2-phenylpropyl)tin] oxide
Inchi InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
CIPAC 359
EPA Code 104601
Formula C60H78OSn2
SMILES CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)O[Sn](CC(C)(C)c3ccccc3)(CC(C)(C)c4ccccc4)CC(C)(C)c5ccccc5)c6ccccc6
Status Approved

Classification

Mode of Action Selective, non-systemic with contact and stomach action, acts by inhibiting oxidative phosphorylation
Pesticide Type Acaricide
Chemical Group Organotin
Classification organotin acaricides

Properties (Source:PubChem)

Molecular Weight 1052.68
Physical State Fine white powder
AlogP 16.848
H-Bond Donor 0
H-Bond Acceptor 1
Surface Area 949.59
Polar Surface Area 9.23

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 > 0.0036 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.016 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.048 mg l-1
Birds Acute LD50 > 969 mg kg-1
Birds Short term dietary LC50/LD50 > 5620 mg/kg feed
Earthworms Chronic 14 day NOEC, reproduction 1.67 mg kg-1
Earthworms Acute 14 day LD50 > 500 mg kg-1
Fish Acute 96 hour LC50 0.00114 mg l-1
Fish Chronic 21 day NOEC 0.00127 mg l-1
Honeybees Acute 48 hour LD50 > 200 μg bee-1
Mammals Acute oral LD50 > 3000 mg kg-1
Mammals Short term dietary NOEL > 100 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment > 1000 mg kg-1
Bio-concentration factor BCF 730
Bio-concentration factor CT50 7 days

Related targets

Target Name RScore (About this table)
beta hexosaminidase 8(0,0,1,3) Details
IgE 6(0,0,1,1) Details
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