1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid (CED0175942)

Record Information
Version1.0
Creation Date2026-08-21 23:26:53 UTC
Update Date2026-08-21 23:26:53 UTC
Accession NumberCHEM206546
Identification
Common Name1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
ClassSmall Molecule
Description
1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. With an average molecular weight of 637.40 g/mol, 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid is a heavy molecule. It has the chemical formula C23H14Cl2N6O8S2. This compound is found in or released from five recorded sources. Within the category of household cleaning and consumer products, it is associated with bleaching agents, pipe accessories, tobacco pipes, and tobacco smoke filters. Additionally, it is found in electrical and electronic equipment, specifically within colour television systems.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC23H14Cl2N6O8S2
Average Molecular Mass637.400 g/mol
Monoisotopic Mass635.969 g/mol
CAS Registry Number13324-20-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)
InChI KeyRTLULCVBFCRQKI-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
8354.0Log mg/kg[4700:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
509Colour Television SystemsElectrical & Electronic EquipmentNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)2.17978
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)3.89246
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)4.28171
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)1.24559
Click to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)2.17978
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)1.63483
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)8.56341
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)3.89246
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)3.97031
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)14.6357
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)1.01204
Choline O-acetyltransferase structureClick to view 3D structureCholine O-acetyltransferaseP28329HumansPredicted (SEA)0.389246
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)1.01204
Alpha-(1,6)-fucosyltransferase structureClick to view 3D structureAlpha-(1,6)-fucosyltransferaseQ9BYC5HumansPredicted (SEA)0.233548
Click to view 3D structureP2X purinoceptor 2Q9UBL9HumansPredicted (SEA)19.8516
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)749.143
DNA repair nuclease/redox regulator APEX1 structureClick to view 3D structureDNA repair nuclease/redox regulator APEX1P27695HumansPredicted (SEA)0.622794
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)66.094
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)1566.17
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)364.879
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)541.908
Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 structureClick to view 3D structureEctonucleotide pyrophosphatase/phosphodiesterase family member 3O14638HumansPredicted (SEA)43.6734
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)134.29
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)1269.88
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)118.72
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available