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80-77-3

80-77-3 structural image
Product Name: Chlormezanone
Formula: C11H12ClNO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form CRYSTALS
Melting Point 116.2-118.6
Solubility 2500 mg/L (at 25 °C)
LogP 1.3
Collision Cross Section 158.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Kovats Retention Index 2194 2150 2165

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 273.74 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 273.0226421 g/mol
Monoisotopic Mass 273.0226421 g/mol
Topological Polar Surface Area 62.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 395
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Chlormezanone is a 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. It has a role as an anxiolytic drug, a muscle relaxant and an antipsychotic agent. It is a 1,3-thiazine, a lactam, a sulfone and a member of monochlorobenzenes.