[(2-Ethylhexanoyl)oxy]diphenylstibine (CED0179958)

Record Information

Version

1.0

Creation Date

2026-04-05 18:45:50 UTC

Update Date

2026-04-05 18:45:50 UTC

Accession Number

CHEM106202

Identification

Common Name

[(2-Ethylhexanoyl)oxy]diphenylstibine

Class

Small Molecule

Description

[(2-Ethylhexanoyl)oxy]diphenylstibine belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound is characterized by the chemical formula C20H25O2Sb.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂₅O₂Sb

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C8H16O2.2C6H5.Sb/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;/q;;;+1/p-1/rC20H25O2Sb/c1-3-5-12-17(4-2)20(21)22-23(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,3-5,12H2,1-2H3

InChI Key

VDTQBQDVHSDDLY-UHFFFAOYSA-M

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
196.0	Log mg/kg	[100:350]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
596	Acaricides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
678	Nitrogenous Fertilisers	Agriculture & land management	Not Available
744	Water, Wastewater, & Sewage Treatment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peptide deformylase	Q9JN24	Escherichia coli	Predicted (SEA)	1.94623
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	182.011
Click to view 3D structure	Cathepsin K	P43235	Humans	Predicted (SEA)	149.237
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	16.8154
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	117.864
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	174.616
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	42.1943
Click to view 3D structure	Cathepsin G	P08311	Humans	Predicted (SEA)	74.8131
Click to view 3D structure	Chymotrypsin-like elastase family member 2A	P08419	Sus scrofa	Predicted (SEA)	21.0971
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	251.531
Click to view 3D structure	Macrophage metalloelastase	P39900	Humans	Predicted (SEA)	217.199
Click to view 3D structure	Prostaglandin E synthase	O14684	Humans	Predicted (SEA)	29.0378
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	323.853
Click to view 3D structure	Phospholipase C	P09598	Bacillus cereus	Predicted (SEA)	3.65891
Click to view 3D structure	Chymotrypsinogen B	P00767	Bos taurus	Predicted (SEA)	13.935
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	17.1268
Click to view 3D structure	Chymase	P23946	Humans	Predicted (SEA)	74.1125
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	214.786
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	447.244
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	331.638
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	324.476
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	149.393
Click to view 3D structure	Cathepsin S	P25774	Humans	Predicted (SEA)	276.988
Click to view 3D structure	Peptide deformylase	P9WIJ3	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	5.83869
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	692.235