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Doxepin

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Identification
Molecular formula
C19H21NO
CAS number
1668-19-5
IUPAC name
3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

Solid - Doxepin at room temperature is solid in its pure form.

Melting point (Celsius)
176.00
Melting point (Kelvin)
449.15
Boiling point (Celsius)
675.50
Boiling point (Kelvin)
948.65
General information
Molecular weight
317.84g/mol
Molar mass
317.8360g/mol
Density
1.4098g/cm3
Appearence

Doxepin appears as a white to off-white crystalline powder. It is usually practically odorless or may have a faint characteristic odor.

Comment on solubility

Solubility of 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 3-(5,5-dioxo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate can be quite complex due to its intricate structure. Factors influencing its solubility include:

  • Ionic Nature: The presence of the dimethylammonium group suggests the potential for ionic interactions, which may enhance solubility in polar solvents.
  • Hydrophobic Sections: The aromatic rings and the dioxo functionality may hinder solubility in polar solvents, leading to a preference for nonpolar solvents instead.
  • pH Dependence: The solubility might change with pH, as the enolate group (4-hydroxy-4-oxo-but-2-enoate) can show different ionization states based on the acidity of the solution.

Based on the structural components, one might anticipate:

  • Better solubility in water if the compound is positively charged.
  • Moderate solubility in organic solvents like ethanol or methanol due to the interplay between hydrophilic and hydrophobic characteristics.

In summary, while the solubility of this particular compound presents challenges, it also opens avenues for exploration in different solvent systems. Further empirical testing will provide more definitive insights into its solubility profile.

Interesting facts

Interesting Facts About 3-(5,5-Dioxo-6,11-Dihydrobenzo[c][1]benzothiepin-11-yl)propyl-Dimethyl-Ammonium; 4-Hydroxy-4-Oxo-But-2-Enoate

This unique compound presents a fascinating intersection of organic and medicinal chemistry, particularly known for its chemical structure that combines elements of aromatic compounds and ammonium derivatives. Here are some noteworthy facts:

  • Complex Structure: The multi-ring system in this compound adds a level of complexity that is often associated with significant biological activity, making it a subject of interest in pharmacological studies.
  • Medicinal Potential: Compounds containing the benzo[c][1]benzothiepin moiety have shown promise in medicinal applications, particularly in the development of drugs for conditions related to the central nervous system.
  • Hybrid Characteristics: The presence of both the ammonium group and the hydroxy-oxo butenoate contributes to unique reactivity patterns, potentially leading to new synthetic applications.
  • Research Applications: Scientists are exploring this compound in various research fields, including antimicrobial, antitumor, and anti-inflammatory studies, revealing its versatile nature.
  • Importance of Dioxo Structure: The dioxo feature significantly influences the compound's reactivity and stability, providing interesting pathways for further chemical modifications.

As you delve into the properties and applications of this compound, keep in mind that its intricate design is not just for show; it serves as a reminder of the beauty and complexity of chemical structures that push the boundaries of science.