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Scopolamine

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Identification
Molecular formula
C21H24NO4
CAS number
51-34-3
IUPAC name
2-[4,7-dimethoxy-5-(3-phenylprop-2-enoyl)benzofuran-6-yl]oxyethyl-diethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, scopolamine is typically found as a solid. It is most commonly obtained in its salt form, which remains solid at room temperature and exhibits excellent stability for storage and handling.

Melting point (Celsius)
59.30
Melting point (Kelvin)
332.45
Boiling point (Celsius)
358.39
Boiling point (Kelvin)
631.54
General information
Molecular weight
303.35g/mol
Molar mass
303.3530g/mol
Density
1.4380g/cm3
Appearence

Scopolamine appears as a white to off-white crystalline powder under normal conditions. It is notable for its lack of odor and has a slightly bitter taste. This compound is usually dispensed in its hydrobromide or hydrochloride salt forms, which are more stable for medicinal use.

Comment on solubility

Solubility Insights

The solubility of the compound 2-[4,7-dimethoxy-5-(3-phenylprop-2-enoyl)benzofuran-6-yl]oxyethyl-diethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate can be quite intricate due to its complex molecular structure. Several factors contribute to its solubility characteristics:

  • Polarity: The presence of multiple functional groups—such as the diethylammonium group—enhances the polarity of the molecule, potentially increasing its solubility in polar solvents like water.
  • Synthetically Altered Solubility: The introduction of benzofuran moieties might alter solubility due to their hydrophobic nature, potentially decreasing solubility in aqueous environments.
  • Hydrogen Bonding: The compound features hydroxyl and carbonyl groups which can engage in hydrogen bonding, facilitating interactions with solvents and improving solubility in certain organic solvents.
  • Environmental pH: pH can significantly influence the ionization state of the ammonium group, affecting its solubility. Generally, in acidic medium, the compound may exhibit higher solubility.

In summary, while the solubility of this compound may be variable and dependent on solvent choice and environmental conditions, understanding its molecular arrangement provides valuable insights into predicting its solubility behavior. As one averages the parameters governing solubility, it becomes evident that the interplay of ionic and hydrophobic interactions will dictate its overall solubility profile in diverse mediums.


Interesting facts

Interesting Facts about 2-[4,7-Dimethoxy-5-(3-phenylprop-2-enoyl)benzofuran-6-yl]oxyethyl-Diethyl-Ammonium; 4-Hydroxy-4-Oxo-But-2-Enoate

This compound is a fascinating example of how complex organic structures can be constructed to achieve specific biological effects. In particular, its unique molecular architecture allows it to interact with biological systems in intriguing ways. Here are some compelling facts about this compound:

  • Structural Complexity: The presence of a benzofuran moiety combined with multiple methoxy groups not only enhances solubility but also provides functional versatility, making the compound suitable for various applications.
  • Biological Activity: Compounds with similar structures have been studied for their potential medicinal properties. They may exhibit significant activity against various diseases, particularly in the areas of cancer research and anti-inflammatory treatments.
  • Dual Functionality: The pairing of the diethylammonium group with the enolic acid component could suggest both ionic interaction abilities and potential for hydrogen bonding, which are crucial for efficacy in biological systems.
  • Research Applications: This compound can serve as a valuable tool in drug discovery, assisting researchers in understanding the interaction pathways of complex organic molecules with biological targets.
  • Quote from Science: As stated in contemporary research, "The design of novel compounds with enriched structural frameworks paves the way for innovative therapies in pharmacology." This highlights the importance of sophisticated compounds like this one.

In summary, 2-[4,7-dimethoxy-5-(3-phenylprop-2-enoyl)benzofuran-6-yl]oxyethyl-diethyl-ammonium; 4-hydroxy-4-oxo-but-2-enoate represents a significant step in the ongoing evolution of chemical compounds used for therapeutic purposes. Its structure invites curiosity and further exploration in the field of medicinal chemistry.