Deschloroetizolam
[CAS# 40054-73-7]

Identification

• Classification: Organic raw materials >> Heterocyclic compound
• Name: Deschloroetizolam
• Synonyms: 4-ethyl-13-methyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• Molecular Formula: C₁₇H₁₆N₄S
• Molecular Weight: 308.40
• CAS Registry Number: 40054-73-7
• SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4)C

Properties

• Solubility: 0.4446 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.725, Calc.^*
• Melting point: 185.07 °C
• Boiling Point: 441.07 °C, 519.0±60.0 °C (760 mmHg), Calc.^*
• Flash Point: 267.7±32.9 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS02;GHS06;GHS08 Danger
• Risk Statements: H225-H301+H311+H331-H370
• Safety Statements: P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311

Discovery and Applications

Deschloroetizolam is a chemical compound belonging to the thienodiazepine class of substances. It is a derivative of etizolam, a well-known pharmaceutical compound with anxiolytic and sedative properties. Deschloroetizolam was likely discovered through modifications to the molecular structure of etizolam, specifically by removing the chlorine atom from its chemical structure. This alteration may have been aimed at enhancing certain pharmacological properties or reducing potential side effects associated with etizolam. The discovery of deschloroetizolam represents a continuation of research into thienodiazepine derivatives and their potential applications in medicine and related fields.

Deschloroetizolam is primarily investigated for its pharmacological effects and potential medical applications. Like its parent compound etizolam, deschloroetizolam likely exhibits anxiolytic, sedative, and muscle relaxant properties. These properties make it a candidate for the treatment of anxiety disorders, insomnia, and certain neurological conditions. Research into its efficacy, safety profile, and optimal dosage regimens is ongoing to determine its suitability for clinical use.

Deschloroetizolam also finds applications in research and development within the pharmaceutical industry. Scientists study its chemical properties, pharmacokinetics, and pharmacodynamics to understand its mechanism of action and potential therapeutic uses. Additionally, deschloroetizolam serves as a reference compound for exploring structure-activity relationships and designing novel thienodiazepine derivatives with improved pharmacological profiles. This research contributes to the development of new medications for various medical conditions.

In forensic science, deschloroetizolam may be utilized as a reference standard for analytical purposes. Analytical laboratories may use deschloroetizolam to develop and validate methods for the detection and quantification of thienodiazepine compounds in biological samples, such as blood or urine. Its inclusion as a reference material aids in forensic investigations involving cases of drug-related incidents, overdose, or impaired driving, providing accurate and reliable analytical results.

As with many psychoactive substances, deschloroetizolam may also be subject to recreational use and abuse. Due to its potential for misuse and dependence, regulatory authorities in various jurisdictions may control its distribution and use. Monitoring its availability, assessing its risks, and implementing appropriate regulatory measures are essential for preventing abuse and ensuring public safety. Education and awareness campaigns may also be conducted to inform the public about the risks associated with deschloroetizolam misuse.

References

2015. Characterization of the four designer benzodiazepines clonazolam, deschloroetizolam, flubromazolam, and meclonazepam, and identification of their in vitro metabolites. Forensic Toxicology, 33(2).
DOI: 10.1007/s11419-015-0277-6


2018. Documentation of a Little-Studied Designer Benzodiazepine After a Controlled Single Administration: II. Concentration Profile of Deschloroetizolam in Saliva. Therapeutic Drug Monitoring, 40(6).
DOI: 10.1097/ftd.0000000000000557


2019. Validation of an LC-MS/MS Method for the Quantification of 13 Designer Benzodiazepines in Blood. Journal of Analytical Toxicology, 43(5).
DOI: 10.1093/jat/bkz063