cyhexatin

Identification (Source:EPA,EU)

ID 255
Name cyhexatin
CAS 13121-70-5
IUPAC tricyclohexyltin hydroxide
Inchi InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1
CIPAC 289
EPA Code 101601
Formula C18H34OSn
SMILES O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3
Status Not Approved

Classification

Mode of Action Non-systemic with contact action, acts by inhibiting oxidative phosphorylation
Pesticide Type Insecticide, Acaricide, Metabolite
Chemical Group Organotin
Classification organotin acaricides

Properties (Source:PubChem)

Molecular Weight 385.17
Physical State Solid
AlogP 6.106
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 317.19
Polar Surface Area 48.29

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 0.000018 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.00032 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0002 mg l-1
Birds Acute LD50 520 mg kg-1
Fish Acute 96 hour LC50 0.06 mg l-1
Honeybees Acute 48 hour LD50 32 μg bee-1
Mammals Acute oral LD50 265 mg kg-1
Mammals Short term dietary NOEL 1 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 10000

Related targets

Target Name RScore (About this table)
Microsomal monooxygenase 81(1,1,1,1) Details
ATPase 39(0,0,1,34) Details
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