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138729-47-2

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Basic Information
CAS No.: 138729-47-2
Name: Eszopiclone
Article Data: 28
Molecular Structure:
Molecular Structure of 138729-47-2 (Eszopiclone)
Formula: C17H17ClN6O3
Molecular Weight: 388.813
Synonyms: 1-Piperazinecarboxylicacid, 4-methyl-,6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester,(S)-;(+)-Zopiclone;(S)-Zopiclone;Estorra;Lunesta;
EINECS: 202-303-5
Density: 1.54 g/cm3
Melting Point: 202-204 °C
Boiling Point: 580.7 °C at 760 mmHg
Flash Point: 305 °C
Appearance: White or slightly yellowish powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38-62
Safety: 26-36
PSA: 91.76000
LogP: 1.50880
Downstream Products
138680-08-7
151851-70-6
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Analytical Methods

EsZOPICLONE acts on benzodiazepine "receptors" on GABA neurons as an agonist.[4] EsZOPICLONE is rapidly absorbed after oral administration, with serum levels peaking between 1 and 1.3 hours.[5] The elimination half-life of esZOPICLONE is approximately 6 hours and is extensively metabolized by oxidation and demethylation. Approximately 52% to 59% of a dose is weakly bound to plasma protein. Cytochrome P450 (CYP) isozymes CYP3A4 and CYP2E1 are involved in the biotransformation of esZOPICLONE; thus, drugs that induce or inhibit these CYP isozymes may affect the metabolism of esZOPICLONE. Less than 10% of the orally administered dose is excreted in the urine as racemic ZOPICLONE.[6] In terms of benzodiazepine receptor binding and relevant potency, 3 mg of esZOPICLONE is equivalent to 10 mg of DIAZEPAM.[7]

Specification

The Eszopiclone , with cas registry number of 138729-47-2, belongs to the classes of Sedative, Hypnotic; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor. It has other names such as 1-Piperazinecarboxylic acid, 4-methyl-, (5S)-6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl ester ; Estorra ; Eszopiclone ; HSDB 7472 ; Lunesta ; SEP-190 ; UNII-UZX80K71OE , and so on. The IUPAC name is [(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate . And the systematic name is called (5S)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate . Besides these names, it has a brand-name which is Lunesta . The superlist names include DEA No. 2784 ; Lunesta ; Zopiclone .

Physical properties of Eszopiclone are: (1) ACD/LogP: -0.33 ; (2) # of Rule of 5 Violations: 0 ; (3) #H bond acceptors: 9 ; (4) #H bond donors: 0 ; (5) #Freely Rotating Bonds: 3 ; (6) Index of Refraction: 1.688 ; (7) Molar Refractivity: 96.23 cm3 ; (8) Molar Volume: 252.3 cm3 ; (9) Surface Tension: 86.1 dyne/cm ; (10) Enthalpy of Vaporization: 86.85 kJ/mol ; (11) Vapour Pressure: 1.78E-13 mmHg at 25°C.

Uses of Eszopiclone : This product is a short-acting sedative hypnotic. Its action is via the benzodiazepine receptor-GABA complex the same as benzodiazepines , zaleplon , and zolpidem . The recommended dose is 2 mg-3 mg for adult patients (aged 18–64 years) and 2 mg for older
adult patients aged 65 years or older.

When you are using this chemical, please be cautious about it as the following:
As a chemical, Eszopiclone is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. Wear suitable protective clothing before use it in laboratory or factory. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O[C@H]3c1nccnc1C(=O)N3c2ncc(Cl)cc2)N4CCN(C)CC4;
(2)InChI:InChI=1/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1;
(3)InChIKey:GBBSUAFBMRNDJC-INIZCTEOBX