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Acetylcholine chloride

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Identification
Molecular formula
C7H16ClNO2
CAS number
60-31-1
IUPAC name
[(4aR,7S,12bS)-9-acetoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] acetate;chloride
State
State

At room temperature, acetylcholine chloride is typically found as a solid in the form of a white crystalline powder.

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
150.00
Boiling point (Kelvin)
423.15
General information
Molecular weight
181.66g/mol
Molar mass
181.6630g/mol
Density
1.1506g/cm3
Appearence

White or off-white crystalline powder.

Comment on solubility

Solubility Insights

The compound [(4aR,7S,12bS)-9-acetoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] acetate;chloride presents intriguing characteristics related to its solubility. The presence of both an acetate and a chloride group in its structure can significantly influence its interaction with solvents.

Factors Affecting Solubility

  • Polarity: The dual functional groups (acetate and chloride) increase the compound's polarity, which may enhance solubility in polar solvents like water.
  • Hydrogen Bonding: The hydroxyl groups (from acetate) can engage in hydrogen bonding, further promoting solubility in protic solvents.
  • Structural Complexity: The complex bicyclic structure can hinder solubility in non-polar solvents due to its steric bulk and potential lack of free rotation.

In summary, the solubility of this compound can be described as:

  1. Likely soluble in polar organic solvents such as methanol or ethanol.
  2. Possibly soluble in aqueous conditions due to the presence of charged functional groups.
  3. Limited solubility in non-polar solvents due to hydrophobic regions present in its structure.

To quote a common rule in chemistry, "like dissolves like," highlighting how understanding the nature of the substituents can give insight into the solubility behavior of complex compounds. Further experimental data would be essential to fully characterize and quantitate its solubility profile.

Interesting facts

Interesting Facts about [(4aR,7S,12bS)-9-acetoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] acetate;chloride

This intriguing compound belongs to a class known as isoquinolines, which are rich in pharmacological activity and widely studied in medicinal chemistry. Isoquinolines are bicyclic compounds that consist of a fused benzene and pyridine ring system, which can lead to complex interactions in biological systems.

Key Features:

  • Structural Complexity: The presence of multiple stereocenters adds to the complexity and diversity of the compound, potentially leading to unique biological activities.
  • Acetoxy Group: The acetoxy functional group is known for enhancing the solubility and stability of organic compounds, making this isoquinoline derivative interesting in the design of drug candidates.
  • Chloride Ion: The inclusion of chloride as a counterion often influences the reactivity and interaction of the compound with biological targets.

Research has shown that isoquinolines can exhibit a range of biological activities, including:

  • Antimicrobial properties - many derivatives have shown significant efficacy against various pathogens.
  • Antioxidant activity - contributing to cellular defense against oxidative stress.
  • Neuroprotective effects - some compounds in this class have been studied for protective roles in neurodegenerative diseases.

As a scientist studying such compounds, one might say, “Every structural modification we explore can lead to a potentially groundbreaking therapeutic discovery.” Understanding how the intricate structure of this compound interacts with biological systems not only unveils its potential but also expands the horizons of medicinal chemistry.

In conclusion, [(4aR,7S,12bS)-9-acetoxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] acetate;chloride stands as a rich area for further research and exploration, highlighting the profound interplay between chemical structure and biological function.