3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride (CED0190654)

Record Information
Version1.0
Creation Date2026-04-04 23:01:59 UTC
Update Date2026-04-04 23:01:59 UTC
Accession NumberCHEM084465
Identification
Common Name3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride
ClassSmall Molecule
Description
3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride is an organic compound with the formula C16H18N4O2S and an average molecular weight of 364.85 g/mol. 3,7-Bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride belongs to the benzothiazines, a class of organoheterocyclic compounds within the organic compounds. This substance has been found in or released from two recorded sources: food, food processing and cookware regarding the treatment of hops, and electrical and electronic equipment, specifically antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H18N4O2S
Average Molecular Mass364.850 g/mol
Monoisotopic Mass330.115 g/mol
CAS Registry Number2679-01-8
IUPAC NameNot Available
Traditional NameNot Available
SMILES[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(N(C)C)=C3N(=O)=O)N=C2C=C1
InChI IdentifierInChI=1/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1
InChI KeyYYGBVRCTHASBKD-UHFFFAOYSA-M
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
833.0Log mg/kg[470:1500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
506AntennasElectrical & Electronic EquipmentNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, 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 structureGlutathione reductaseO15770Plasmodium falciparum 3D7Predicted (SEA)0.155698
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)87.3468
Microtubule-associated protein tau structureClick to view 3D structureMicrotubule-associated protein tauP10636HumansPredicted (SEA)9.73115
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)274.107
Click to view 3D structureDickkopf-related protein 1O54908Mus musculusPredicted (SEA)3.50322
Ribonuclease SLFN12 structureClick to view 3D structureRibonuclease SLFN12Q8IYM2HumansPredicted (SEA)5.0602
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1523.35
Low-density lipoprotein receptor-related protein 6 structureClick to view 3D structureLow-density lipoprotein receptor-related protein 6O75581HumansPredicted (SEA)6.46149
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)5006.33
Click to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)581.612
Click to view 3D structureDual specificity protein kinase CLK1P22518Mus musculusPredicted (SEA)290.611
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)5398.06
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)5260.43
Receptor-type tyrosine-protein kinase FLT3 structureClick to view 3D structureReceptor-type tyrosine-protein kinase FLT3P36888HumansPredicted (SEA)5645.16
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)5359.37
Death-associated protein kinase 3 structureClick to view 3D structureDeath-associated protein kinase 3O43293HumansPredicted (SEA)4658.58
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)1910.26
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)5540.06
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)1186.19
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)1655.93
Click to view 3D structureGlutamate receptor-interacting protein 1P97879Rattus norvegicusPredicted (SEA)9.6533
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)5456.53
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)5818.53
Cyclin-dependent kinase 7 structureClick to view 3D structureCyclin-dependent kinase 7P50613HumansPredicted (SEA)4702.48
Deoxyribonuclease-1 structureClick to view 3D structureDeoxyribonuclease-1P24855HumansPredicted (SEA)5.52729
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available