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40054-73-7

40054-73-7 Structure

40054-73-7 Structure
IdentificationBack Directory
[Name]

2-ethyl-9-Methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
[CAS]

40054-73-7
[Synonyms]

Deschloroetizolam
Deschloroetizolam solution
2-ethyl-9-Methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 2-ethyl-9-methyl-4-phenyl-
[EINECS(EC#)]

200-284-8
[Molecular Formula]

C17H16N4S
[MDL Number]

MFCD02942552
[MOL File]

40054-73-7.mol
[Molecular Weight]

308.4
Chemical PropertiesBack Directory
[Melting point ]

165-166 °C
[Boiling point ]

519.0±60.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMF: 5 mg/ml DMSO: 5 mg/ml DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml Methanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

2.45±0.40(Predicted)
[color ]

White to off-white
[λmax]

247 nm
[InChI]

InChI=1S/C17H16N4S/c1-3-13-9-14-16(12-7-5-4-6-8-12)18-10-15-20-19-11(2)21(15)17(14)22-13/h4-9H,3,10H2,1-2H3
[InChIKey]

JIOBORXCOGMHSV-UHFFFAOYSA-N
[SMILES]

N12C(C)=NN=C1CN=C(C1=CC=CC=C1)C1C=C(CC)SC=12
Safety DataBack Directory
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
Hazard InformationBack Directory
[Description]

Deschloroetizolam(40054-73-7) is classified as a novel benzodiazepine. Benzodiazepines are central nervous system depressants. Novel benzodiazepines, typically defined as emergent benzodiazepines not used medicinally, are often pirated from early drug discovery or pharmaceutical studies. Novel benzodiazepines have appeared on illicit drug markets in recent years and have caused adverse events, as described in the literature.
[Uses]

Dechloro Etizolam is a derivative of Etilozam (D226630) which is a a thienodiazepine benzodiazepine derivative. Etizolam has amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. Etizolam is an anxiolytic related to that of the classic benzodiazepines. Etizolam has effect on monoamine metabolism in brain.
[General Description]

Deschloroetizolam, also known as Etizolam-2, is the dechlorinated analog of etizolam. Deschloroetizolam has been shown short-acting psychoactive effects and is sold as a designer drug with half the potency of its parent compound etizolam. It is not prescribed and is not recognized as a controlled substance in many parts of the world, leading to its appearance within grey market research chemical vendors in 2014. This certified Snap-N-Spike? solution standard is suitable for use in LC/MS or GC/MS benzodiazepine testing methods in clinical toxicology, urine drug testing, or forensic analysis.
[Pharmacokinetics]

Structurally, deschloroetizolam is a benzodiazepine. It is an analogue of etizolam, which is classified as a medicine, in that it has one less chloroatom in its benzene ring structure. The pharmacological effect of benzodiazepine is based on the molecule binding to the gamma-aminobutyric acid receptor (GABA) in the central nervous system. As a result of this binding, it will strengthen the effect of the GABA inhibitor. This will result in a nonspecific slowing down of the nerve paths, causing sedative, hypnotic, anxiolytic and anticonvulsant effects. The effect of benzodiazepine is targeted almost entirely at the central nervous system.
[Regulatory Status]

Legal status: Deschloroetizolam is classified and controlled as a hazardous substance in Sweden as of on October 15, 2015.
[Regulations]

Fatalities linked to novel benzodiazepine use have occurred, commonly when used in combination with other depressants (e.g. opioids and alcohol). The synthesis of deschloroetizolam dates back to at least the 1970’s based on previously published literature and patents. Deschloroetizolam was identified among the illicit drug supply in 2014 by scientists in the United Kingdom. Deschloroetizolam is structurally similar to etizolam. Neither substance is federally controlled in the United States, however, some states have moved to control etizolam. According to data from NPS Discovery, deschloroetizolam has been identified in at least ten toxicology samples since mid-2020.?
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