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GSK 189254

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Identification
Molecular formula
C27H28ClN3O
CAS number
681492-22-8
IUPAC name
2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one
State
State

It is a solid at room temperature.

Melting point (Celsius)
218.00
Melting point (Kelvin)
491.15
Boiling point (Celsius)
471.20
Boiling point (Kelvin)
744.35
General information
Molecular weight
430.98g/mol
Molar mass
430.9440g/mol
Density
1.3000g/cm3
Appearence

The compound generally appears as a white or off-white crystalline solid.

Comment on solubility

Solubility of 2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one

The solubility of 2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one can be influenced by several factors due to its complex structure. Here are key points to consider:

  • Polar and Non-Polar Interactions: This compound contains both polar and non-polar components, which may affect its solubility in different solvents.
  • Solvent Choices: It is likely to demonstrate variable solubility in various solvents, including:
    • Highly polar solvents (e.g., water, ethanol)
    • Less polar solvents (e.g., chloroform, methylene chloride)
  • pH Dependence: The solubility may be influenced by the pH of the solvent, particularly due to the presence of nitrogen atoms in the structure, which can undergo protonation.
  • Temperature Effects: Increased temperature may enhance solubility, making it more effective for applications requiring dissolution.

Furthermore, while specific solubility data may not be widely available for this compound, it is essential to perform empirical tests to evaluate its behavior in various environments. As the saying goes, "solubility is a dance between chemistry and environmental conditions," underscoring the dynamic nature of compound solubility.

Interesting facts

Interesting Facts about 2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one

This compound belongs to the class of benzodiazepines, a category of drugs known primarily for their anxiolytic (anxiety-reducing), sedative, and muscle relaxant properties. The unique structure of 2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one is composed of a fused bicyclic system that incorporates both isoquinolone and benzodiazepine moieties.

Here are some noteworthy aspects of this compound:

  • Structural Diversity: The incorporation of a dimethylamino group provides an additional site for pharmacological activity, which can enhance the compound's efficacy.
  • Chlorine Atom Influence: The presence of the chlorine atom at the 2-position may increase the lipophilicity of the molecule, potentially improving its ability to cross the blood-brain barrier.
  • Range of Applications: Compounds with similar structures have been studied for their potential in treating various conditions such as insomnia, anxiety disorders, and seizures.
  • Research Focus: Scientists continue to investigate the safety profile and therapeutic windows of benzodiazepine derivatives, including this specific compound, given the ongoing debate around dependence and withdrawal issues associated with benzodiazepines.

Interestingly, the synthesis of compounds like this one often involves intricate multi-step processes that require careful control of reaction conditions and purification techniques. As noted by chemists in the field, "The complexity of such structures not only highlights the power of modern synthetic methods but also opens up a plethora of potential therapeutic avenues."

Thus, the study of 2-chloro-5-[3-(dimethylamino)propyl]-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-one reflects both the intricacies of chemical synthesis and the ongoing efforts to discover safe, innovative treatments for mental health conditions.

Synonyms
BRN 0714039
10256-71-0
Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-2-chloro-5-(3-(dimethylamino)propyl)-
DTXSID20907704
2-Chloro-5-[3-(dimethylamino)propyl]-5,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6(7H)-one