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Xanomeline

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Identification
Molecular formula
C23H30ClNO2S
CAS number
153527-91-6
IUPAC name
3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium;chloride
State
State

At room temperature, Xanomeline is typically in a solid state. Its physical form as a powder makes it convenient for various chemical processing and formulation applications.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.15
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.15
General information
Molecular weight
390.99g/mol
Molar mass
390.9880g/mol
Density
1.1450g/cm3
Appearence

Xanomeline, as a chloride salt, typically appears as a white to off-white solid powder under standard conditions. This chemical compound doesn't possess any unique color or luster that distinguishes it visually from other white crystalline powders.

Comment on solubility

Solubility of 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium;chloride

The solubility of 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium;chloride can be characterized by several important aspects:

  • Polar Nature: As an ammonium salt, this compound typically exhibits a high degree of solubility in polar solvents, particularly in water due to its ionic characteristics.
  • Solvent Interaction: The solubility can be influenced by the solvent's polarity. Generally, it will dissolve more readily in solvents such as:
    • Water
    • Alcohols
    • Aqueous salt solutions
  • Temperature Effects: Increasing temperature can enhance the solubility of this compound in various solvents, a common trend among many ionic compounds.
  • Hydrophobic Interactions: Due to the benzothiophene moiety, the presence of hydrophobic regions may contribute to decreased solubility in non-polar solvents, making it less soluble in substances like:
    • Hexane
    • Chloroform
    • Diesel fuel

Overall, while 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium;chloride demonstrates significant solubility in polar solvents, the compound's solubility behavior presents an intriguing balance between its ionic and hydrophobic properties.

Interesting facts

Exploring 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethyl-ammonium; chloride

This compound is a fascinating member of the class of quaternary ammonium salts, which are notable for their diverse applications in various fields. Below are some intriguing aspects of this compound:

  • Quaternary Ammonium Compounds: These compounds often function as surfactants, disinfectants, and emulsifiers due to their unique ability to interact with both hydrophilic and hydrophobic environments.
  • Biological Activity: The presence of the benzothiophene moiety in this compound suggests potential biological significance. Many benzothiophene derivatives have been studied for their anti-cancer, anti-inflammatory, and antimicrobial properties.
  • Structural Diversity: The ethoxycarbonyl and dimethylammonium groups contribute to the structural complexity of this compound, potentially impacting its reactivity and interaction with biological systems.
  • Medicinal Chemistry: Compounds like this one are often explored in medicinal chemistry for their pharmacological potential. Researchers investigate how modifications in the molecular structure can lead to enhanced efficacy or selectivity for biological targets.
  • Material Science: Due to its surfactant properties, this compound could also play a role in material science, particularly in the formulation of coatings and polymers that require specific surface behaviors.

The study of such compounds can lead to groundbreaking discoveries in both therapeutic applications and novel material formulations. As with many chemical compounds, understanding their structure and properties opens doors to innovative uses and further research opportunities.

Synonyms
LU 5-042 hydrochloride
26106-16-1
Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, ethyl ester, hydrochloride
RefChem:351419