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Bicuculline hydrochloride

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Identification
Molecular formula
C20H18ClN3O3
CAS number
129-41-9
IUPAC name
1-[3-[3-(4-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one;hydrochloride
State
State

At room temperature, Bicuculline hydrochloride is in a solid state.

Melting point (Celsius)
225.00
Melting point (Kelvin)
498.15
Boiling point (Celsius)
310.00
Boiling point (Kelvin)
583.15
General information
Molecular weight
367.82g/mol
Molar mass
367.8120g/mol
Density
1.3900g/cm3
Appearence

Bicuculline hydrochloride is a white to off-white crystalline powder.

Comment on solubility

Solubility of 1-[3-[3-(4-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one; hydrochloride

The solubility of 1-[3-[3-(4-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one; hydrochloride is an important consideration, particularly in its application in various fields such as pharmaceuticals and chemical research. When discussing this compound, several factors contribute to its solubility behavior:

  • Polarity: The presence of both aliphatic and aromatic groups influences the compound's overall polarity. Characteristic groups such as the 4-nitrophenyl moiety may increase the hydrophilicity of the compound.
  • Hydrochloride Form: Being a hydrochloride salt typically results in higher solubility in water compared to its base form due to ionic strength and enhanced interactions with water molecules.
  • Temperature Dependency: Solubility may increase with temperature, making it crucial to consider how storage and handling conditions might affect the compound’s usability.
  • pH Levels: The solubility of the compound can significantly vary with changes in pH, especially due to the potential ionizable groups present in the structure.

As a general rule, it is noted that "salts tend to be more soluble than their corresponding non-salt forms." Thus, one can anticipate that the hydrochloride derivative of this compound would exhibit reasonable solubility in aqueous solutions, making it suitable for formulation in various applications.

In conclusion, the solubility profile of this compound is a multifaceted aspect that must be evaluated under specific conditions to fully understand its behavior in solution. Experimentation and consideration of the above factors will reveal its practical implications.

Interesting facts

Interesting Facts about 1-[3-[3-(4-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one; Hydrochloride

This compound is a fascinating example of synthetic organic chemistry, illustrating the complexity and creativity involved in drug design. It belongs to a class of compounds known for their biological activities, particularly in the field of neuroscience.

Chemical Structure and Properties

The compound's structure features several noteworthy components:

  • Diazabicyclo: The inclusion of a bicyclic framework can contribute to the compound’s conformational rigidity, which is crucial for biological interactions.
  • Nitrophenyl group: The 4-nitrophenyl substituent contributes both electronic and steric effects that can influence the compound’s reactivity and binding affinity.
  • Allylic chain: The allyl moiety plays an important role in the potential reactivity with various biological substrates.

Biological Relevance

This compound is of particular interest in pharmacology due to its potential:

  • Neurotransmitter modulation: Compounds of this nature often interact with neurotransmitter receptors, offering implications for treating neurological disorders.
  • Anticancer activities: Several related compounds have shown promise in inhibiting cancer cell growth, highlighting the significance of structure in determining biological outcomes.

Research Applications

The extensive study of compounds like this one can lead to invaluable insights in both academic and industrial settings:

  • Drug discovery: Understanding the structure-activity relationship (SAR) of this compound could pave the way for new therapeutic agents.
  • Material science: Compounds exhibiting unique structures are often explored for their potential use in innovative materials.

As a final note, this compound exemplifies the beauty and complexity of organic synthesis. As the famous chemist Linus Pauling once stated, "The best way to have a good idea is to have lots of ideas." Indeed, compounds like this remind us of the vast creativity inherent in chemical research.