1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, sodium salt (CED0066717)

Record Information
Version1.0
Creation Date2026-04-05 20:21:46 UTC
Update Date2026-04-17 16:39:52 UTC
SynCED IDCED0066717
Secondary Accession Numbers
  • CHEM108711
Identification
Common Name1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, sodium salt
ClassSmall Molecule
Description
1,3,5-Trichloro-1,3,5-triazine-2,4,6(1H,3H,5H)-trione, sodium salt belongs to the triazinones, a subclass of triazines within the organic compounds. This organoheterocyclic compound has the chemical formula C3Cl3N3NaO3 and an average molecular weight of 255.39 g/mol. It has been identified in or released from one recorded source: household cleaning and consumer products, specifically soap dispensers.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC3Cl3N3NaO3
Average Molecular MassNot Available
Monoisotopic Mass253.890 g/mol
CAS Registry Number29680-41-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl.[Na+]
InChI IdentifierInChI=1/C3Cl3N3O3.Na/c4-7-1(10)8(5)3(12)9(6)2(7)11;/q;+1
InChI KeyXSXSKSKONCDOMZ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
583.0 Log mg/kg [330:1000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000545Food 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 & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000561Perfumes 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 productsPubChem
CEDs000563Soap 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 productsPubChem
CEDs000564Soap 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 productsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000694Cheese Making?Cheese making involves the fermentation of milk, utilizing bacteria and enzymes to coagulate proteins and develop flavor.Food, food processing & cookwarePubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.167 Low confidence
Statistical Significance
0.903
Supporting Reference Compounds
221
E-value
7029.47
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.188 Low confidence
Statistical Significance
0.9899
Supporting Reference Compounds
1157
E-value
7706.29
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9024
Supporting Reference Compounds
174
E-value
7024.96
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.188 Low confidence
Statistical Significance
0.9552
Supporting Reference Compounds
241
E-value
7435.92
Protein mono-ADP-ribosyltransferase PARP12 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP12Q9H0J9HumansPredicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6767
Supporting Reference Compounds
27
E-value
5267.98
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.161 Low confidence
Statistical Significance
0.9795
Supporting Reference Compounds
303
E-value
7625.25
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.182 Low confidence
Statistical Significance
0.9595
Supporting Reference Compounds
296
E-value
7469.63
Regulator of G-protein signaling 19 structureClick to view 3D structureRegulator of G-protein signaling 19P49795HumansPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.146 Low confidence
Statistical Significance
0.0921
Supporting Reference Compounds
1
E-value
716.68
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.25 Low confidence
Statistical Significance
0.695
Supporting Reference Compounds
406
E-value
5410.75
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.25 Low confidence
Statistical Significance
0.6191
Supporting Reference Compounds
234
E-value
4820.03
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.25 Low confidence
Statistical Significance
0.1746
Supporting Reference Compounds
55
E-value
1359.01
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.25 Low confidence
Statistical Significance
0.1783
Supporting Reference Compounds
40
E-value
1387.97
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.25 Low confidence
Statistical Significance
0.7933
Supporting Reference Compounds
215
E-value
6176.01
Protein mono-ADP-ribosyltransferase PARP10 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP10Q53GL7HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6
Supporting Reference Compounds
52
E-value
4671.19
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P12337Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0449
Supporting Reference Compounds
9
E-value
349.777
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.182 Low confidence
Statistical Significance
0.9191
Supporting Reference Compounds
226
E-value
7154.97
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.182 Low confidence
Statistical Significance
0.9194
Supporting Reference Compounds
227
E-value
7157.69
Protein mono-ADP-ribosyltransferase PARP14 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP14Q460N5HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6904
Supporting Reference Compounds
43
E-value
5374.79
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9542
Supporting Reference Compounds
472
E-value
7428.29
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9355
Supporting Reference Compounds
407
E-value
7282.64
Click to view 3D structureRegulator of G-protein signaling 4P49798HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.167 Low confidence
Statistical Significance
0.055
Supporting Reference Compounds
3
E-value
428.482
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9595
Supporting Reference Compounds
331
E-value
7470.02
Protein mono-ADP-ribosyltransferase PARP15 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP15Q460N3HumansPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.2 Low confidence
Statistical Significance
0.6552
Supporting Reference Compounds
35
E-value
5100.37
Protein mono-ADP-ribosyltransferase PARP16 structureClick to view 3D structureProtein mono-ADP-ribosyltransferase PARP16Q8N5Y8HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.2 Low confidence
Statistical Significance
0.4976
Supporting Reference Compounds
22
E-value
3873.62
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9398
Supporting Reference Compounds
187
E-value
7316.11
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available