Tremblex
Basic information
- CAS
21888-96-0- Standard SMILES
O=C1CC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccccc3)CC2)C(=O)N1.[Cl-]- InChIKey
XSOOSXRNMDUWEM-GNAFDRTKSA-N- Molecular formula
- C23H27ClN2O2
- Average molar mass
- 398.9 g/mol
- Monoisotopic mass
- 398.1761058
Overview
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Names & identifiers
- Preferred name
- Tremblex
- IUPAC
- (3S)-3-(1-benzylpiperidin-1-ium-4-yl)-3-phenylpiperidine-2,6-dione chloride
- English name
- (S)-3-phenyl-1'-(phenylmethyl)[3,4'-bipiperidine]-2,6-dione monohydrochloride
- Molecular formula
- C23H27ClN2O2
- Molecular weight
- 398.92568
Names & synonyms
Tremblex(S)-3-Phenyl-1'-(phenylmethyl)(3,4'-bipiperidine)-2,6-dione monohydrochlorideDexbenzetimide hydrochlorideUNII-B987A3XX7DDextrobenzetimide hydrochlorideEINECS 244-633-2(+)-2-(1-Benzyl-4-piperidyl)-2-phenylglutarimide hydrochloride(+)-1-Benzyl-4-(2,6-dioxo-3-phenyl-3-piperidyl)piperidine hydrochloride(+)-3-(1-Benzyl-4-piperidyl)-3-phenylpiperidine-2,6-dione hydrochloride(3,4'-BIPIPERIDINE)-2,6-DIONE, 3-PHENYL-1'-(PHENYLMETHYL)-, HYDROCHLORIDE, (S)-(S)-3-Phenyl-1'-(phenylmethyl)-(3,4'-bipiperidine)-2,6-dione hydrochloride(S)-3-phenyl-1'-(phenylmethyl)[3,4'-bipiperidine]-2,6-dione monohydrochloride
Database identifiers
- CAS
21888-96-0- PubChem CID
- 30842
Properties
Computed structural properties
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Melting point
- 270 · 270-275°
- alpha
- 20 · D20 +125° (methanol)
- FDA UNII
- 987 A3XX7D · B987A3XX7D
- Toxicity
- 50 i.v · LD50 i.v. in rats: 45 mg/kg (Janssen)
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
- Toxicity
- LD50 i.v. in rats: 45 mg/kg (Janssen)
Chemistry & industry
Applications
UsesDexetimide hydrochloride ((+)-Benzetimide hydrochloride) is an antimuscarinic drug with the activity of suppressing neuroleptic-induced Parkinson's syndrome. Dexetimide hydrochloride is used to improve the symptoms of movement disorders caused by the use of neuroleptics. Dexetimide hydrochloride, as the (-)-enantiomer of (-)-Benzetimide, shows the ability to selectively inhibit cholinergic receptors[1].
Related reactions
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Compound notes
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