(2S)-1-Ethylpyrrolidine-2-carbaldehyde (Amisulpride-met 1 -127) (CED0123193)

Record Information
Version1.0
Creation Date2026-03-26 18:52:05 UTC
Update Date2026-03-26 18:52:05 UTC
Accession NumberCHEM055906
Identification
Common Name(2S)-1-Ethylpyrrolidine-2-carbaldehyde (Amisulpride-met 1 -127)
ClassSmall Molecule
Description
(2S)-1-Ethylpyrrolidine-2-carbaldehyde (Amisulpride-met 1 -127) belongs to the n-alkylpyrrolidines, a subclass of pyrrolidines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C7H13N1O1. The compound has an average molecular weight of 127.19 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H13N1O1
Average Molecular Mass127.187 g/mol
Monoisotopic Mass127.100 g/mol
CAS Registry Number919482-06-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCN1CCC[C@H]1C=O
InChI IdentifierInChI=1S/C7H13NO/c1-2-8-5-3-4-7(8)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1
InChI KeyZTDQNCGEQOQLX-ZETCQYMHSA-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
1442.0Log mg/kg[810:2600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
519ElectrodesElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
678Nitrogenous FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProlyl endopeptidaseP27028Elizabethkingia meningosepticaPredicted (SEA)25.7681
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)785.109
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1545.31
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)1028.0
Click to view 3D structureD(2) dopamine receptorQ9GJU1Canis lupus familiarisPredicted (SEA)40.5594
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)1411.33
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)2052.96
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)3.19182
Click to view 3D structureBifunctional glucose-6-phosphate 1-dehydrogenase/6-phosphogluconolactonaseQ8IKU0Plasmodium falciparum (isolate 3D7)Predicted (SEA)33.8644
Click to view 3D structureD(3) dopamine receptorP19020Rattus norvegicusPredicted (SEA)1094.17
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)2763.34
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)1281.24
Click to view 3D structureD(2) dopamine receptorP20288Bos taurusPredicted (SEA)608.236
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)762.3
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)1420.13
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)3456.89
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansPredicted (SEA)1.16774
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)2544.27
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)4633.9
Prolyl endopeptidase structureClick to view 3D structureProlyl endopeptidaseP48147HumansPredicted (SEA)493.408
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)4297.67
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)5441.5
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7095.72
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)1492.37
Click to view 3D structureProlyl endopeptidaseQ9QUR6Mus musculusPredicted (SEA)251.92
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available