[3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CED0294063)

Record Information

Version

1.0

Creation Date

2026-08-31 05:13:18 UTC

Update Date

2026-08-31 05:13:18 UTC

Accession Number

CHEM339582

Identification

Common Name

[3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

Class

Small Molecule

Description

[3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is a chemical compound with the formula C26H19ClF3NO4. With an average molecular weight of 501.90 g/mol, [3-(trifluoromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is a heavy molecule. This substance has been identified in or released from four recorded sources. Within the category of electrical and electronic equipment, it is associated with radio transmission systems, antennas, and electrically stimulated smoking devices. Additionally, it is found in household cleaning and consumer products, specifically pipe accessories.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₁₉ClF₃NO₄

Average Molecular Mass

Not Available

Monoisotopic Mass

501.095 g/mol

CAS Registry Number

67369-98-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OC4=CC=CC(=C4)C(F)(F)F

InChI Identifier

InChI=1S/C26H19ClF3NO4/c1-15-21(14-24(32)35-20-5-3-4-17(12-20)26(28,29)30)22-13-19(34-2)10-11-23(22)31(15)25(33)16-6-8-18(27)9-7-16/h3-13H,14H2,1-2H3

InChI Key

KPIGFIICBCBCLE-UHFFFAOYSA-N

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
206.0	Log mg/kg	[120:370]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	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	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	1.79053
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	2.10193
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	2.64687
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	3.03612
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	2.49118
Click to view 3D structure	Prostaglandin D2 receptor	P70263	Mus musculus	Predicted (SEA)	2.17978
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	5.29375
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	3.26967
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	4.43741
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	3.26967
Click to view 3D structure	Aldo-keto reductase family 1 member C4	P17516	Humans	Predicted (SEA)	2.33548
Click to view 3D structure	Aldo-keto reductase family 1 member C1	Q04828	Humans	Predicted (SEA)	2.17978
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	3.26967
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	241.177
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	20.63
Click to view 3D structure	Sodium-dependent phosphate transporter 2	Q08357	Humans	Predicted (SEA)	4.28171
Click to view 3D structure	Prostaglandin D2 receptor 2	Q9Y5Y4	Humans	Predicted (SEA)	11.2103
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	P23204	Mus musculus	Predicted (SEA)	9.809
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	54.5723
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	42.9728
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	7.94062
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	28.6485
Click to view 3D structure	Solute carrier family 2, facilitated glucose transporter member 1	P11167	Rattus norvegicus	Predicted (SEA)	0.934191
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	52.9375
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	10.1204