Bis[[2-(methacryloyloxy)ethyl]dimethylammonium] sulphate (CED0192272)

Record Information
Version1.0
Creation Date2026-04-05 22:09:15 UTC
Update Date2026-04-05 22:09:15 UTC
SynCED IDCED0192272
Secondary Accession Numbers
  • CHEM110580
Identification
Common NameBis[[2-(methacryloyloxy)ethyl]dimethylammonium] sulphate
ClassSmall Molecule
Description
Bis[[2-(methacryloyloxy)ethyl]dimethylammonium] sulphate belongs to the organic sulfuric acids, a subclass of organic sulfuric acids and derivatives within the organic compounds. This compound is characterized by the chemical formula C16H32N2O8S.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H32N2O8S
Average Molecular MassNot Available
Monoisotopic Mass412.188 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/2C8H15NO2.H2O4S/c2*1-7(2)8(10)11-6-5-9(3)4;1-5(2,3)4/h2*1,5-6H2,2-4H3;(H2,1,2,3,4)
InChI KeyXYTXSJNHYMUBFL-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 ValuesNot 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
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
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
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
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
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1999
Supporting Reference Compounds
385
E-value
1556.21
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1601
Supporting Reference Compounds
310
E-value
1246.21
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1508
Supporting Reference Compounds
266
E-value
1174.2
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.306
Statistical Significance
0.3951
Supporting Reference Compounds
955
E-value
3075.67
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.306
Statistical Significance
0.2961
Supporting Reference Compounds
562
E-value
2305.12
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.306
Statistical Significance
0.402
Supporting Reference Compounds
823
E-value
3129.54
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.243 Low confidence
Statistical Significance
0.2779
Supporting Reference Compounds
373
E-value
2163.43
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.243 Low confidence
Statistical Significance
0.224
Supporting Reference Compounds
297
E-value
1744.21
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.231 Low confidence
Statistical Significance
0.0855
Supporting Reference Compounds
98
E-value
665.844
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.238 Low confidence
Statistical Significance
0.5774
Supporting Reference Compounds
686
E-value
4495.09
Cyclic nucleotide-gated channel alpha-1 structureClick to view 3D structureCyclic nucleotide-gated channel alpha-1Q00194Bos taurusPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.306
Statistical Significance
0.0066
Supporting Reference Compounds
2
E-value
51.1469
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.222 Low confidence
Statistical Significance
0.5261
Supporting Reference Compounds
536
E-value
4095.49
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.306
Statistical Significance
0.3403
Supporting Reference Compounds
241
E-value
2649.21
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.222 Low confidence
Statistical Significance
0.7334
Supporting Reference Compounds
861
E-value
5709.77
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.227 Low confidence
Statistical Significance
0.223
Supporting Reference Compounds
72
E-value
1735.88
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.238 Low confidence
Statistical Significance
0.9377
Supporting Reference Compounds
1498
E-value
7299.69
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.222 Low confidence
Statistical Significance
0.808
Supporting Reference Compounds
953
E-value
6290.61
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.222 Low confidence
Statistical Significance
0.6629
Supporting Reference Compounds
541
E-value
5160.7
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.216 Low confidence
Statistical Significance
0.5625
Supporting Reference Compounds
256
E-value
4379.41
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.238 Low confidence
Statistical Significance
0.7068
Supporting Reference Compounds
451
E-value
5502.62
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.238 Low confidence
Statistical Significance
0.7514
Supporting Reference Compounds
507
E-value
5849.28
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.222 Low confidence
Statistical Significance
0.8449
Supporting Reference Compounds
1103
E-value
6577.79
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.222 Low confidence
Statistical Significance
0.7157
Supporting Reference Compounds
524
E-value
5571.67
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.231 Low confidence
Statistical Significance
0.3247
Supporting Reference Compounds
109
E-value
2528.0
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.216 Low confidence
Statistical Significance
0.4056
Supporting Reference Compounds
201
E-value
3157.8
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available