Dexetimide
Basic information
- CAS
21888-98-2- Standard SMILES
O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1- InChIKey
LQQIVYSCPWCSSD-HSZRJFAPSA-N- Molecular formula
- C23H26N2O2
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.19942808
Overview
Dexetimide is a member of piperidines.
Names & identifiers
- Preferred name
- Dexetimide
- IUPAC
- (3S)-3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione
- English name
- Benzetimide
- Molecular formula
- C23H26N2O2
- Molecular weight
- 362.46
Names & synonyms
DEXETIMIDE21888-98-2Dexetimida(+)-BenzetimideBenzetimide, (s)-DexetimidumDexbenzetimideR-16470 FREE BASE43477QYX3DR 16,470 FREE BASER 16470DTXSID701043218
Show more names
BenzetimideDEXETIMIDE HCLRSYYBENZETIMIDEDextrobenzetimide(S)-(+)-DexetimideBENZETIMIDE USP/EP/BP(+)-DEXETIMIDE HYDROCHLORIDE
(3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, (S)-Dexbenzetimiddextro-Benzetimide(3S)-3-phenyl-3-(1-(phenylmethyl)piperidin-4-yl)piperidine-2,6-dione(3S)-3-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]piperidine-2,6-dionedextro BenzetimideRefChem:585861N04AA08
Database identifiers
- CAS
21888-98-2- PubChem CID
- 30843
- DTXSID
DTXSID701043218- ChEMBL
CHEMBL1908364- ChEBI
CHEBI:135531- UNII
- 43477QYX3D
- Nikkaji
- J11.153H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP3.55
Melting Point299-301.5
Physicochemical properties
- Melting point
- 181 · 181-183°
- alpha
- 20 · D20 +125° (chloroform)
- Boiling point
- 543.9 · 543.9±50.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO: ≥ 100 mg/mL (275.89 mM)
- pka
- 11.2 · 11.20±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 43477 QYX3D · 43477QYX3D
- RIDADR
- 3249 · 3249
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.
Applications
UsesAnticholinergic.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Dexetimide is a member of piperidines.
Suppliers
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Compound notes
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