3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide (CED0273585)

Record Information

Version

1.0

Creation Date

2026-08-29 23:18:37 UTC

Update Date

2026-08-29 23:18:37 UTC

SynCED ID

CED0273585

Secondary Accession Numbers

CHEM318781

Identification

Common Name

3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

Class

Small Molecule

Description

3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide is a chemical compound with the formula C20H24Br2N4O2. With an average molecular weight of 512.20 g/mol, 3-bromo-4-[6-(2-bromo-4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂₄Br₂N₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

510.027 g/mol

CAS Registry Number

93856-82-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=C(C=C1C(=N)N)Br)OCCCCCCOC2=C(C=C(C=C2)C(=N)N)Br

InChI Identifier

InChI=1S/C20H24Br2N4O2/c21-15-11-13(19(23)24)5-7-17(15)27-9-3-1-2-4-10-28-18-8-6-14(20(25)26)12-16(18)22/h5-8,11-12H,1-4,9-10H2,(H3,23,24)(H3,25,26)

InChI Key

ZSMKZRXHCAOERY-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
604.0 Log mg/kg [340:1100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000719	Ink Reservoir Pens?Ink reservoir pens are writing instruments that contain a reservoir filled with ink, often made from synthetic dyes and solvents.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

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	Acrosin	P08001	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.565 Applicability Domain 0.903 Statistical Significance 4.00e-05 Supporting Reference Compounds 8 E-value 0.311397
Click to view 3D structure	Suppressor of tumorigenicity 14 protein	Q9Y5Y6	Humans	Predicted (SEA)	Prediction Confidence Score 0.548 Applicability Domain 0.903 Statistical Significance 7.20e-04 Supporting Reference Compounds 74 E-value 5.60514
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.514 Applicability Domain 0.903 Statistical Significance 0.0025 Supporting Reference Compounds 331 E-value 19.2288
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Predicted (SEA)	Prediction Confidence Score 0.473 Applicability Domain 0.903 Statistical Significance 7.30e-04 Supporting Reference Compounds 151 E-value 5.68299
Click to view 3D structure	Diamine acetyltransferase 1	P21673	Humans	Predicted (SEA)	Prediction Confidence Score 0.405 Applicability Domain 0.543 Statistical Significance 5.00e-05 Supporting Reference Compounds 2 E-value 0.389246
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.399 Applicability Domain 0.543 Statistical Significance 0.0062 Supporting Reference Compounds 195 E-value 48.6558
Click to view 3D structure	Glandular kallikrein	P00752	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.452 Statistical Significance 9.00e-05 Supporting Reference Compounds 7 E-value 0.700643
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.404 Statistical Significance 0.0018 Supporting Reference Compounds 73 E-value 14.2464
Click to view 3D structure	Transmembrane protease serine 2	O15393	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.543 Statistical Significance 0.0027 Supporting Reference Compounds 23 E-value 21.4085
Click to view 3D structure	Serine protease 1	P00760	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.404 Statistical Significance 0.0068 Supporting Reference Compounds 74 E-value 52.7818
Click to view 3D structure	Protein S100-B	P04271	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.543 Statistical Significance 3.00e-05 Supporting Reference Compounds 2 E-value 0.233548
Click to view 3D structure	Kallikrein-1	P06870	Humans	Predicted (SEA)	Prediction Confidence Score 0.341 Applicability Domain 0.452 Statistical Significance 0.0037 Supporting Reference Compounds 74 E-value 28.6485
Click to view 3D structure	Serine protease 1	P07477	Humans	Predicted (SEA)	Prediction Confidence Score 0.329 Applicability Domain 0.368 Statistical Significance 0.009 Supporting Reference Compounds 112 E-value 69.9865
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.341 Statistical Significance 0.0225 Supporting Reference Compounds 284 E-value 175.394
Click to view 3D structure	Coagulation factor X	P00743	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.375 Statistical Significance 0.002 Supporting Reference Compounds 38 E-value 15.3363
Click to view 3D structure	Protein S100-B	P04631	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.317 Applicability Domain 0.34 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.543 Statistical Significance 0.0741 Supporting Reference Compounds 955 E-value 577.096
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.543 Statistical Significance 0.0508 Supporting Reference Compounds 487 E-value 395.241
Click to view 3D structure	Tissue-type plasminogen activator	P00750	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.316 Statistical Significance 0.0174 Supporting Reference Compounds 120 E-value 135.38
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.289 Low confidence Statistical Significance 0.0057 Supporting Reference Compounds 1 E-value 44.7633
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.543 Statistical Significance 0.0888 Supporting Reference Compounds 823 E-value 691.379
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.543 Statistical Significance 0.0968 Supporting Reference Compounds 861 E-value 753.97
Click to view 3D structure	Protein arginine N-methyltransferase 1	Q99873	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.543 Statistical Significance 0.0046 Supporting Reference Compounds 45 E-value 35.9663
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.543 Statistical Significance 0.0303 Supporting Reference Compounds 241 E-value 235.572
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.543 Statistical Significance 0.2475 Supporting Reference Compounds 1498 E-value 1926.69