Zopiclone

HCID 5735CAS 43200-80-2

기본 정보

표준 SMILES
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIKey
GBBSUAFBMRNDJC-UHFFFAOYSA-N
분자식
C17H17ClN6O3
평균 분자량
388.8 g/mol
단동위원소 질량
388.10506608

개요

Zopiclone is a pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position. It has a role as a central nervous system depressant and a sedative. It is a monochloropyridine and a pyrrolopyrazine.

이름 및 식별자

우선 이름
Zopiclone
IUPAC
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
영어명
Zopiclone
분자식
C17H17ClN6O3
분자량
388.81

이름 및 동의어

zopiclone43200-80-2ImovaneAmobanZimovane(+-)-ZopicloneZopiclonaZopiclonumXimovanRP-27267[6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylateRP 27267
이름 더 보기
Zopiclone R-IsoMer CIV6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-piperazinecarboxylateImobamLimovanAmovaneSopivanCS-1331
Zimovane LSNSC-75846303A5ORL08QZileze 7.5CHEBI:32315Zileze 3.751-Piperazinecarboxylic acid, 4-methyl-, 6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl esterDTXSID4041155

데이터베이스 식별자

CAS
43200-80-2
PubChem CID
5735
DTXSID
DTXSID4041155
ChEMBL
CHEMBL135400
ChEBI
CHEBI:32315
UNII
03A5ORL08Q
EC Number
256-138-9
Nikkaji
J16.885H

물성

구조 계산 물성

XLogP
0.5
극성 표면적
91.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
3
무거운 원자 수
27

실험 및 물리화학적 성질

Drugs · 5건

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

DEA Schedule IV Controlled Substance -> Depressants

Pharmaceuticals -> Hypnotic

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Pharmaceuticals

LogP · 2건

0.8

1.1

Solubility · 2건

8.85e-01 g/L

>58.3 [ug/mL] (The mean of the results at pH 7.4)

Human DrugsPharmaceuticals
Melting Point178 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
1780 C · 1780C
끓는 점
580.7 · 580.7±50.0 °C(Predicted)
밀도
1.1105 · 1.1105 (estimate)
인화점
2 ℃ · 2℃
저장 조건
Store at RT
용해도
2 mg/mL · DMSO: 2mg/mL

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (20.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute 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.

유해성 정보

Regulatory Information · 2건

DEA schedule IV controlled substance

Zopiclone: 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 CategoriesAcute Tox. 4 (100%)

독성 정보

Health EffectsThey cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.
Exposure RoutesRapidly absorbed following oral administration.
Toxicity Summary · 1건

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 · 1건

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 ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Zopiclone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk
3
rtecs
TL1425000
ridadr
UN 1648 3 / PGII
독성
mouse,LD50,intramuscular,541mg/kg (541mg/kg),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSIONBEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY),Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 935, 1983.
HS 번호
29339900
risk_code
20/21/22-36/37/38-62-36-11

화학 및 산업

약리 정보

ATC Code · 3건

N05CF01

N - Nervous system

QN - Nervous system

Protein BindingApproximately 45%
Pharmacodynamics · 1건

Zopiclone is a nonbenzodiazepine hypnotic from the pyrazolopyrimidine class and is indicated for the short-term treatment of insomnia. While Zopiclone is a hypnotic agent with a chemical structure unrelated to benzodiazepines, barbiturates, or other drugs with known hypnotic properties, it interacts with the gamma-aminobutyric acid-benzodiazepine (GABA<sub>B</sub>Z) receptor complex. Subunit modulation of the GABA<sub>B</sub>Z receptor chloride channel macromolecular complex is hypothesized to be responsible for some of the pharmacological properties of benzodiazepines, which include sedative, anxiolytic, muscle relaxant, and anticonvulsive effects in animal models. Zopiclone binds selectively to the brain alpha subunit of the GABA A omega-1 receptor.

Mechanism of Action · 1건

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 α1, α2, α3 and α5 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.

Biological Half-LifeElimination half life is approximately 5 hours (range 3.8 to 6.5 hours) and is prolonged to 11.9 hours in patients with hepatic insufficiency.
Metabolism/Metabolites · 2건

Extensively metabolized in the liver via decarboxylation (major pathway), demethylation, and side chain oxidation. Metabolites include an N-oxide derivative (weakly active; approximately 12% of a dose) and an N-desmethyl metabolite (inactive; approximately 16%). Approximately 50% of a dose is converted to other inactive metabolites via decarboxylation. Hepatic microsomal enzymes are apparently not involved in zopiclone clearance.

Extensively metabolized in the liver via decarboxylation (major pathway), demethylation, and side chain oxidation. Metabolites include an N-oxide derivative (weakly active; approximately 12% of a dose) and an N-desmethyl metabolite (inactive; approximately 16%). Approximately 50% of a dose is converted to other inactive metabolites via decarboxylation. Hepatic microsomal enzymes are apparently not involved in zopiclone clearance. Half Life: Elimination half life is approximately 5 hours (range 3.8 to 6.5 hours) and is prolonged to 11.9 hours in patients with hepatic insufficiency.

용도 및 제조

Uses · 2건

Use (kg; approx.) in Germany (2009): >500

For the short-term treatment of insomnia.

Use ClassificationPharmaceuticals
응용 분야 · 2건

개요Zopiclone 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.

용도Cyclopyrrolone 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

추가 설명

정의ChEBI: A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position.

관련 반응

16건

연결된 노트

불러오는 중…