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Doxepin

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Identification
Molecular formula
C19H21NO3
CAS number
1668-19-5
IUPAC name
3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine
State
State
Doxepin is usually in a solid state at room temperature, often supplied in the form of a powder or crystal for pharmaceutical applications.
Melting point (Celsius)
190.50
Melting point (Kelvin)
463.65
Boiling point (Celsius)
457.20
Boiling point (Kelvin)
730.35
General information
Molecular weight
279.38g/mol
Molar mass
279.3810g/mol
Density
0.8000g/cm3
Appearence

Doxepin is typically found as a white to off-white crystalline powder. It may also appear as a solid crystalline substance.

Comment on solubility

Solubility of 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine

This compound presents fascinating solubility characteristics that are influenced by its complex molecular structure. The presence of the benzo[c][1]benzothiepin moiety and the dimethylamino group significantly impacts how the compound interacts with different solvents.

Factors Influencing Solubility:

  • Polarity: The overall polarity of the molecule affects its solubility in polar and non-polar solvents. The dimethylamino group tends to increase solubility in polar solvents due to its electron-donating capacity.
  • Functional Groups: The 5,5-dioxo and sulfur-containing structures may enhance solubility in specific solvents, particularly those that can engage in hydrogen bonding or dipole-dipole interactions.
  • Temperature: Solubility often increases with temperature; therefore, heating the solvent might help dissolve this compound more effectively.
  • pH Effects: Changes in pH can influence the protonation state of the amino group, further altering solubility and potentially leading to increased solubility in acidic conditions.

In summary, the solubility of 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine is highly dependent on the nature of the solvent and external conditions such as temperature and pH. Understanding these parameters is crucial for effective application in various chemical contexts.

Interesting facts

Interesting Facts about 3-(5,5-Dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine

This fascinating compound, characterized by its complex structure, plays a noteworthy role in the realm of medicinal chemistry. Here are some important highlights to consider:

  • Molecular Complexity: The compound features an intricate arrangement of a benzo[c][1]benzothiepin core, which is notable for being a fused bicyclic structure. This unique assembly often imparts interesting pharmacological properties to the entire molecule.
  • Potential Biological Activity: Compounds like this one are investigated for their potential as therapeutic agents. Their activity could encompass a wide range of biological systems, particularly in relation to central nervous system disorders.
  • Functional Groups: The presence of both N,N-dimethyl amine and 5,5-dioxo moieties suggests that this compound may exhibit interesting mechanisms of action, possibly involving receptor binding or enzyme inhibition.
  • Synthetic Routes: The synthesis of such complex molecules often requires sophisticated techniques in organic chemistry, such as multi-step synthesis and the use of protecting groups, adding to the intrigue for studying synthetic methodologies.
  • Research Significance: Ongoing research into compounds like this one helps chemists to understand structure-activity relationships (SAR), which can pave the way for developing new drugs.

In summary, 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethyl-propan-1-amine exemplifies the complexities and exciting potential of medicinal compounds. As chemists continue to explore its properties and applications, the future may unveil even more about its capabilities and significance in drug design.

Synonyms
AKOS005065451