Hexadecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium (CED0288136)

Record Information
Version1.0
Creation Date2026-08-30 20:38:56 UTC
Update Date2026-08-30 20:38:56 UTC
Accession NumberCHEM333598
Identification
Common NameHexadecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium
ClassSmall Molecule
Description
Hexadecyl-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]azanium is a chemical compound with the formula C23H47N2O+. It has an average molecular weight of 367.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H47N2O+
Average Molecular MassNot Available
Monoisotopic Mass367.369 g/mol
CAS Registry Number115612-97-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)CN1CCCC1=O
InChI IdentifierInChI=1S/C23H47N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(2,3)22-24-20-18-19-23(24)26/h4-22H2,1-3H3/q+1
InChI KeyAGTPOYSXKWBROH-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
2516.0Log mg/kg[1400:4500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)0.233548
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)117.942
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)0.467095
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)203.809
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)144.021
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)255.19
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)77.6157
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)73.334
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)435.878
Click to view 3D structureMuscarinic acetylcholine receptor M2P06199Sus scrofaPredicted (SEA)4.20386
Guanine nucleotide-binding protein G(i) subunit alpha-1 structureClick to view 3D structureGuanine nucleotide-binding protein G(i) subunit alpha-1P63096HumansPredicted (SEA)8.95266
Click to view 3D structureMuscarinic acetylcholine receptor M3Q8VH26Cavia porcellusPredicted (SEA)80.1847
Guanine nucleotide-binding protein G(o) subunit alpha structureClick to view 3D structureGuanine nucleotide-binding protein G(o) subunit alphaP09471HumansPredicted (SEA)3.65891
Click to view 3D structureMuscarinic acetylcholine receptor M1P12657Mus musculusPredicted (SEA)2.33548
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)241.255
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)1455.7
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)34.8764
Click to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)490.45
Click to view 3D structure3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7P56937HumansPredicted (SEA)7.62922
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)196.881
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)17.6718
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)16.8154
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)1376.3
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)1770.29
Click to view 3D structureMajor prion proteinP04273Mesocricetus auratusPredicted (SEA)49.7457
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available