Zopiclone

HCID 5735CAS 43200-80-2

Basic information

Standard SMILES
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIKey
GBBSUAFBMRNDJC-UHFFFAOYSA-N
Molecular formula
C17H17ClN6O3
Average molar mass
388.8 g/mol
Monoisotopic mass
388.10506608

Overview

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.

Names & identifiers

Preferred name
Zopiclone
IUPAC
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
English name
Zopiclone
Molecular formula
C17H17ClN6O3
Molecular weight
388.81

Names & synonyms

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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
91.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
27

Experimental & physicochemical properties

Drugs · 5 items

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

DEA Schedule IV Controlled Substance -> Depressants

Pharmaceuticals -> Hypnotic

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Pharmaceuticals

LogP · 2 items

0.8

1.1

Solubility · 2 items

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

Physicochemical properties

Melting point
1780 C · 1780C
Boiling point
580.7 · 580.7±50.0 °C(Predicted)
Density
1.1105 · 1.1105 (estimate)
Flash point
2 ℃ · 2℃
storage temp.
Store at RT
solubility
2 mg/mL · DMSO: 2 mg/mL

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Toxicology

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

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 · 1 item

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 · 4 items

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Zopiclone

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Safety data

wgk
3
rtecs
TL1425000
ridadr
UN 1648 3 / PGII
hs_code
29339900
Toxicity
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.
risk_code
20/21/22-36/37/38-62-36-11

Chemistry & industry

Pharmacology

ATC Code · 3 items

N05CF01

N - Nervous system

QN - Nervous system

Protein BindingApproximately 45%
Pharmacodynamics · 1 item

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 · 1 item

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 · 2 items

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.

Uses & manufacturing

Uses · 2 items

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

For the short-term treatment of insomnia.

Use ClassificationPharmaceuticals
Applications · 5 items

DescriptionZopiclone is an agonist at the type A γ-aminobutyric acid (GABA) receptor. It is a non-benzodiazepine hypnotic which was first reviewed in Drugs in 1986 and it is indicated for short-term treatment of insomnia. Zopiclone has a relatively low propensity to cause residual clinical effects (such as difficulty in waking or reduced morning concentration).

DescriptionZopiclone 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.

Usesantihyperammonemic,antineoplastic

UsesCyclopyrrolone 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

Usesinhibits tyrosinase and prevents melanin formation used to whiten and lighten skin

Additional notes

DefinitionChEBI: 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.

Related reactions

16 records

Linked notes

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