Zopiclone

imovane · Zopiclone R-IsoMer CIV · 6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-piperazinecarboxylate · Amoban · Imobam · Limovan · Amovane · Sopivan

https://huagongshe.com/ko/chemical/5735

식별자 및 물리적 특성

CAS No.	43200-80-2
분자식	C17H17ClN6O3
평균 분자량	388.8 g/mol
단동위원소 질량	388.10506608 g/mol
SMILES	CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIKey	GBBSUAFBMRNDJC-UHFFFAOYSA-N
PubChem CID	5735
ChEMBL	CHEMBL135400
ChEBI	CHEBI:32315
EC No.	256-138-9
DTXSID	DTXSID4041155

화학 및 물리적 성질

XLogP	0.5
극성 표면적	91.8
수소 결합 공여자 수	0
수소 결합 수용자 수	7
회전 가능 결합 수	3
무거운 원자 수	27
형식 전하	0
복잡도	573
의약품	DEA NFLIS-Drug Category -> Depressants and TranquilizersDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> HypnoticPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP(분배 계수)	0.81.1
용해도	8.85e-01 g/L>58.3 [ug/mL] (The mean of the results at pH 7.4)DMSO: 2mg/mL
Human Drugs	Pharmaceuticals
녹는점	178 °C1780C
Physical Description	Solid
Collision Cross Section	188.5 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]186.5 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]176.57 Å² [M+H-H2O]+ [CCS Type: TW
끓는 점	580.7±50.0 °C(Predicted)
밀도	1.1105 (estimate)
인화점	2℃
저장 조건	Store at RT
pKa(산도 계수)	pKa ﹣1.5±0.1(10% ACN in aq. H2SO4 t = 25.0) (Uncertain)
물리적 상태	고체
색상	흰색에서 황백색까지
안정성	흡습성
주요 응용	임상 시험
InChI	1S/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/p+1
InChIKey	GBBSUAFBMRNDJC-UHFFFAOYSA-N
SMILES	C[NH+]1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4
NIST	Zopiclone(43200-80-2)

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류	WarningH302+H312+H332 (20.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 139 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	DEA schedule IV controlled substanceZopiclone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (100%)
건강 영향	They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.
노출 경로	Rapidly absorbed following oral administration.
독성 요약	Zopiclone exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABA<sub>B</sub>Z receptor chloride channel macromolecular complex. Both zopiclone and benzodiazepines act indiscriminately at the benzodiazepine binding site on alpha1, alpha2, alpha3 and alpha5 GABAA containing receptors as full agonists causing an enhancement of the inhibitory actions of GABA to produce the therapeutic (hypnotic and anxiolytic) and adverse effects of zopiclone.
Signs and Symptoms	Rare individual instances of fatal outcomes following overdose with racemic zopiclone have been reported in European postmarketing reports, most often associated with overdose with other CNS-depressant agent. Signs and symptoms of overdose effects of CNS depressants can be expected to present as exaggerations of the pharmacological effects noted in preclinical testing.
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)

용도

개요

Zopiclone is an effective hypnotic agent with a short duration of action. Although it interacts with the benzodiazepine receptor complex, it is reported to have minimal effects on memory, little synergy with alcohol, and low abuse potential.

용도

Cyclopyrrolone member of a family of non-benzodiazepine GABAA receptor agonists. This is a controlled substance (depressant) in the US but not in Canada. Sedative, hypnotic