Eszopiclone

Molecular Mass: 388.8 g/mol

Formula: C₁₇H₁₇ClN₆O₃

Smiles: CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1

Synonymes:

Eszopiclone, 138729-47-2, Lunesta, (S)-Zopiclone, Estorra, Esopiclone, (+)-Zopiclone, Eszopiclon, Eszopiclone civ, SEP-190, eszopiclona, UZX80K71OE, (+)-(5S)-6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo(3,4-b)pyrazin-5-yl 4-methylpiperazine-1-carboxylate, [(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate, DTXSID8046086, CHEBI:53760, GSK-1755165, 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, DTXCID6026086, (5S)-6-(5-Chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo(3,4-b)pyrazin-5-yl 4-methylpiperazine-1-carboxylate, (5S)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate, eszopiclonum, Zopiclone s-, ((7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo(3,4-b)pyrazin-7-yl) 4-methylpiperazine-1-carboxylate, (+)-(5S)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo(3,4-b)pyrazin-5-yl-4-methylpiperazine-1-carboxylate, (+)-(5S)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl-4-methylpiperazine-1-carboxylate, 1-Piperazinecarobxylic acid,4-methyl-,(5S)-6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl ester, 1-Piperazinecarobxylic acid,4-methyl-,(5S)-6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester, RefChem:56355, N05CF04, (+)-(5S)-6(chloropyridine-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo(3,4-b)-pyrazin-5-yl-4-methyl-piperazine-1-carboxylate, (S)-6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo(3,4-b)pyrazin-5-yl-4-methyl-1-piperazinecarboxylate, Zopiclone s-form, SEP-225441, NCGC00159515-02, Eszopiclone [USAN:INN], C17H17ClN6O3, Lunivia, (S)-Eszopiclone, Estorra (TN), Lunesta (TN), CAS-138729-47-2, HSDB 7472, SR-05000001914, DEA No. 2784, UNII-UZX80K71OE, Eszopiclone [USAN], (5S)-6-(5-CHLOROPYRID-2-YL)-5-(4-METHYLPIPERAZIN-1-YL)CARBONYLOXY-7-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRAZINE, KS-1055, SEP-0227018, SEP-0227108, ESZOPICLONE [INN], ESZOPICLONE [JAN], Eszopiclone (S-Zopiclone), ESZOPICLONE [HSDB], ESZOPICLONE [VANDF], CHEMBL1522, ESZOPICLONE [MART.], SCHEMBL28657, ESZOPICLONE [WHO-DD], [(7S)-6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate, MLS001165744, orb146149, Eszopiclone (JAN/USP/INN), SPECTRUM1505188, ZOPICLONE S-FORM [MI], GTPL7429, ESZOPICLONE [ORANGE BOOK], ESZOPICLONE CIV [USP-RS], GBBSUAFBMRNDJC-INIZCTEOSA-N, HMS2864O09, HMS3259B17, HMS3264F04, ESZOPICLONE [USP MONOGRAPH], Tox21_111733, BDBM50247998, MFCD03700720, AKOS015895596, Tox21_111733_1, AC-5546, AC-5547, CCG-213172, DB00402, NC00663, NCGC00159515-03, FE156792, SMR000550478, NS00116255, D02624, AB00828423_06, Q413184, SR-05000001914-1, SR-05000001914-2, BRD-K29220403-001-10-8, (6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl) -4-methyl-1-piperazine carboxylate, (S)-6-(5-Chloro-2-pyridinyl)- 7-oxo- 6,7-dihydro- 5H-pyrrolo[3,4-b]pyrazin-5-yl- 4-methyl- 1-piperazinecarboxylate, 1140433-81-3

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Propanol	288.15	-	0.679	[196]
1-Propanol	293.15	-	0.8943	[196]
1-Propanol	298.15	-	1.112	[196]
1-Propanol	303.15	-	1.504	[196]
1-Propanol	308.15	-	1.957	[196]
1-Propanol	313.15	-	2.513	[196]
1-Propanol	318.15	-	2.99	[196]
1-Propanol	323.15	-	3.99	[196]
1-Propanol	328.15	-	5.085	[196]
Acetone	288.15	-	6.923	[196]
Acetone	288.15	-	6.94	[197]
Acetone	293.15	-	8.099	[196]
Acetone	293.15	-	7.95	[197]
Acetone	298.15	-	10.0	[196]
Acetone	298.15	-	10.0	[197]
Acetone	303.15	-	11.96	[196]
Acetone	303.15	-	12.0	[197]
Acetone	308.15	-	13.97	[196]
Acetone	308.15	-	14.0	[197]
Acetone	313.15	-	16.38	[196]
Acetone	313.15	-	16.5	[197]
Acetone	318.15	-	18.95	[196]
Acetone	318.15	-	18.9	[197]
Ethanol	288.15	-	1.54	[196]
Ethanol	288.15	-	1.3	[197]
Ethanol	293.15	-	1.88	[196]
Ethanol	293.15	-	2.0	[197]
Ethanol	298.15	-	2.39	[196]
Ethanol	298.15	-	2.7	[197]
Ethanol	303.15	-	2.842	[196]
Ethanol	303.15	-	2.6	[197]
Ethanol	308.15	-	3.448	[196]
Ethanol	308.15	-	3.3	[197]
Ethanol	313.15	-	4.382	[196]
Ethanol	313.15	-	4.6	[197]
Ethanol	318.15	-	5.518	[196]
Ethanol	318.15	-	5.8	[197]
Ethanol	323.15	-	6.422	[196]
Ethanol	323.15	-	6.4	[197]
Ethanol	328.15	-	7.679	[196]
Ethanol	328.15	-	7.69	[197]
Methyl acetate	288.15	-	9.269	[196]
Methyl acetate	293.15	-	10.66	[196]
Methyl acetate	298.15	-	12.21	[196]
Methyl acetate	303.15	-	14.68	[196]
Methyl acetate	308.15	-	17.12	[196]
Methyl acetate	313.15	-	19.79	[196]
Methyl acetate	318.15	-	22.98	[196]
Propyl acetate	288.15	-	2.899	[196]
Propyl acetate	293.15	-	3.456	[196]
Propyl acetate	298.15	-	4.182	[196]
Propyl acetate	303.15	-	5.123	[196]
Propyl acetate	308.15	-	6.066	[196]
Propyl acetate	313.15	-	6.856	[196]
Propyl acetate	318.15	-	7.848	[196]
Propyl acetate	323.15	-	8.801	[196]
Propyl acetate	328.15	-	9.828	[196]
isopropyl acetate	288.15	-	2.286	[196]
isopropyl acetate	293.15	-	2.651	[196]
isopropyl acetate	298.15	-	3.182	[196]
isopropyl acetate	303.15	-	3.925	[196]
isopropyl acetate	308.15	-	4.555	[196]
isopropyl acetate	313.15	-	5.263	[196]
isopropyl acetate	318.15	-	5.843	[196]
isopropyl acetate	323.15	-	6.448	[196]
isopropyl acetate	328.15	-	7.141	[196]

Molecule 3D descriptors

Descriptor	Value
PMI1	2852.4792
PMI2	4085.2330
PMI3	6298.9441
NPR1	0.4529
NPR2	0.6486
RadiusOfGyration	4.1257
InertialShapeFactor	0.0002
Eccentricity	0.8916
Asphericity	0.2089
SpherocityIndex	0.2026
PBF	0.9437