Zytron (CED0036310)

Record Information

Version

1.0

Creation Date

2026-04-06 12:42:05 UTC

Update Date

2026-08-18 00:43:39 UTC

SynCED ID

CED0036310

Secondary Accession Numbers

CHEM124762

Identification

Common Name

Zytron

Class

Small Molecule

Description

Zytron is an organic compound with the chemical formula C10H14Cl2N1O2P1S1 and an average molecular weight of 314.16 g/mol. Zytron belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized as a member of the benzenoids superclass. The compound has been identified in or released from three recorded sources. These include household cleaning and consumer products, specifically soap dispensers, and food, food processing and cookware, specifically the preparation of malt. Additionally, it is associated with electrical and electronic equipment, specifically line transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₄Cl₂N₁O₂P₁S₁

Average Molecular Mass

314.160 g/mol

Monoisotopic Mass

312.986 g/mol

CAS Registry Number

299-85-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COP(=S)(NC(C)C)OC1=CC=C(Cl)C=C1Cl

InChI Identifier

InChI=1S/C10H14Cl2NO2PS/c1-7(2)13-16(17,14-3)15-10-5-4-8(11)6-9(10)12/h4-7H,1-3H3,(H,13,17)

InChI Key

PJFGPJQBWSEWKX-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0f7n-4960000000-6c6e7655381e908bd042	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01q9-1293000000-a5006e88d853593d1693	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-7971000000-fad1c94b5bba5787b72a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08gr-5980000000-efe9a8de7936ead20165	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0978000000-5b0f7fe17924c992cd36	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dj-0292000000-3244d7b9be9afcf54bcf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03e9-6920000000-9b800edcf0276354da74	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
146.0 Log mg/kg [80:260]	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	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	Not Available
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	Not Available
CEDs000564	Soap Dispensers?Soap dispensers, commonly used for dispensing liquid soaps and sanitizers, can become a source of synthetic chemical contamination due to the materials used in their construction and the products they dispense.	Household cleaning & consumer products	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	Not Available
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	Not Available
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	Not Available
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	Not Available
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	Not Available
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	Not Available
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	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	Not Available
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	Not Available
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	Not Available
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

2 pathwaysPathway Source: PathBank

Zytron Drug Metabolism

Zytron Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sigma intracellular receptor 2	Q8VD00	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.296 Low confidence Statistical Significance 3.10e-04 Supporting Reference Compounds 1 E-value 2.41333
Click to view 3D structure	Coagulation factor VIII	P00451	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.5217
Click to view 3D structure	Enoyl-acyl-carrier protein reductase	Q965D5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.349 Statistical Significance 0.0018 Supporting Reference Compounds 18 E-value 14.2464
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.278 Low confidence Statistical Significance 0.1897 Supporting Reference Compounds 593 E-value 1476.8
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.278 Low confidence Statistical Significance 0.5652 Supporting Reference Compounds 1498 E-value 4399.96
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.278 Low confidence Statistical Significance 0.1827 Supporting Reference Compounds 451 E-value 1421.99
Click to view 3D structure	Enoyl-acyl carrier reductase	Q6UCJ9	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.349 Statistical Significance 6.90e-04 Supporting Reference Compounds 7 E-value 5.3716
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.271 Low confidence Statistical Significance 0.1885 Supporting Reference Compounds 425 E-value 1467.85
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.25 Low confidence Statistical Significance 0.2978 Supporting Reference Compounds 506 E-value 2318.12
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.259 Low confidence Statistical Significance 0.4764 Supporting Reference Compounds 955 E-value 3708.97
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.241 Low confidence Statistical Significance 0.5318 Supporting Reference Compounds 742 E-value 4140.1
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.295 Low confidence Statistical Significance 0.343 Supporting Reference Compounds 406 E-value 2670.38
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.247 Low confidence Statistical Significance 0.5299 Supporting Reference Compounds 823 E-value 4125.62
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.6816 Supporting Reference Compounds 1157 E-value 5305.89
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.5988 Supporting Reference Compounds 754 E-value 4661.61
Click to view 3D structure	rRNA adenine N-6-methyltransferase	P02979	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.3901
Click to view 3D structure	23S rRNA methylase leader peptide	P10739	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.222 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.3901
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.242 Low confidence Statistical Significance 0.6927 Supporting Reference Compounds 793 E-value 5392.62
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.234 Low confidence Statistical Significance 0.5984 Supporting Reference Compounds 727 E-value 4658.34
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.241 Low confidence Statistical Significance 0.6342 Supporting Reference Compounds 906 E-value 4936.89
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.233 Low confidence Statistical Significance 0.7808 Supporting Reference Compounds 1130 E-value 6078.62
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.233 Low confidence Statistical Significance 0.8582 Supporting Reference Compounds 1538 E-value 6681.02
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.228 Low confidence Statistical Significance 0.7505 Supporting Reference Compounds 825 E-value 5842.27
Click to view 3D structure	5-hydroxytryptamine receptor 7	P32305	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.25 Low confidence Statistical Significance 0.1419 Supporting Reference Compounds 115 E-value 1104.68
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.26 Low confidence Statistical Significance 0.356 Supporting Reference Compounds 258 E-value 2771.2