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Zopiclone N-oxide

Zopiclone N-oxide structure

CAS No:
43200-96-0
Formula:
C17H17ClN6O4
Chemical Name:
Zopiclone N-oxide
Synonyms:
1-Piperazinecarboxylic acid,4-methyl-,6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl ester,4-oxide;5H-Pyrrolo[3,4-b]pyrazine,1-piperazinecarboxylic acid deriv.;RP 29753;Zopiclone N-oxide;151776-25-9
Categories:
Analytical Chemistry > Standard

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Description

Off-White to Pale Beige Solid

Zopiclone N-oxide Basic Attributes

Molecular Weight：

404.81

Exact Mass：

404.81

EC Number：

200-659-6

HScode：

2933790002

Characteristics

PSA：

107

XLogP3：

1.54230

Melting Point：

>140°C (dec.)

Flash Point：

9℃

Storage Conditions：

-20°C Freezer

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol

wgk germany：

hazard class code：

11-23/24/25-39/23/24/25

safety instructions：

7-16-36/37-45

Marks：

F,T

Precautionary statement(s)：

P210-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378-P403 + P235

Hazard Statements：

H225-H301 + H311 + H331-H370

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P340, P312, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

N-oxide-zopiclone is a known human metabolite of Zoplicone and eszopiclone.

MeSH Entry Terms：

6-(5-chloro-2-pyridyl)-7-((4-oxo-4-methyl-1-piperazinyl)carbonyloxy)-6,7-dihydro(5H)pyrrolo(3,4-b)pyrazin-5-one

Zopiclone N-oxide Use and Manufacturing

Eszopiclone impurity A.

Computed Properties

Molecular Weight:404.8
XLogP3:-0.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:404.0999807
Monoisotopic Mass:404.0999807
Topological Polar Surface Area:107
Heavy Atom Count:28
Complexity:617
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes