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Almotriptan Malate

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Identification
Molecular formula
C17H29Cl3N2O3
CAS number
181183-52-8
IUPAC name
4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride
State
State

At room temperature, it is typically a solid.

Melting point (Celsius)
137.00
Melting point (Kelvin)
410.15
Boiling point (Celsius)
310.00
Boiling point (Kelvin)
583.15
General information
Molecular weight
469.97g/mol
Molar mass
469.9690g/mol
Density
1.2500g/cm3
Appearence
The compound is typically a white to off-white powder.
Comment on solubility

Solubility Overview

The compound 4-[3-(3-benzyl-3,9-diazabicyclo3.3.1nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride presents a unique solubility profile that is influenced by its complex molecular structure and hydration state. Here are key points to consider regarding its solubility:

  • Hydrate Form: As a trihydrate, this compound retains water molecules, which can significantly enhance its solubility in aqueous solutions.
  • Salt Formation: The presence of three hydrochloride groups indicates that the compound exists as a salt, often leading to improved solubility in polar solvents.
  • Polarity Factors: The morpholine segment contributes to the overall polarity, allowing for greater dissolution in water, while the benzyl moiety may affect solubility in organic solvents.
  • Temperature Variability: Solubility can be temperature-dependent; typically, increasing temperature can enhance solubility for many compounds, including this one.

In conclusion, the solubility of 4-[3-(3-benzyl-3,9-diazabicyclo3.3.1nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride is likely to be favorable in water due to its hydrated and ionic characteristics, although the exact solubility can vary based on conditions such as temperature and ionic strength.

Interesting facts

Interesting Facts about 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride

This fascinating compound is part of a larger class of chemical entities that display a unique interaction with biological systems. Often utilized in medicinal chemistry, it showcases properties that warrant detailed exploration:

  • Structural Complexity: The compound features a morpholine ring—a six-membered ring containing both nitrogen and oxygen atoms—coupled with a bicyclic structure that is rich in nitrogen. This combination not only contributes to its stability but also influences its reactivity and biological activity.
  • Intermolecular Interactions: As a trihydrochloride salt, this compound offers enhanced solubility in aqueous environments. The three hydrochloride groups can facilitate strong ionic interactions with various targets in biological systems, enabling its potential use in therapeutic applications.
  • Pharmacological Implications: Compounds with such structural features often act as ligands that can bind to receptors in the nervous system, hinting at possible neuropharmacological effects. The presence of the benzyl group indicates potential for central nervous system activity, making it interesting for medicinal research.
  • Chemical Versatility: The presence of multiple functional groups presents opportunities for further chemical derivatization, which may lead to the synthesis of analogues that can exhibit improved pharmacological profiles.
  • Research Potential: Investigating the mechanisms of action and metabolic pathways of this compound can provide valuable insights into drug development, especially in the fields of neuropharmacology and mental health therapeutics.

In summary, 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine;trihydrate;trihydrochloride exemplifies the intricate relationship between molecular structure and biological activity, making it a compelling subject for ongoing research.

Synonyms
23462-18-2
3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-morpholinopropyl)-, hydrochloride, hydrate (1:3:3)
3-Benzyl-9-(3-morpholinopropyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate
RefChem:272788
DTXSID80946134
3-Benzyl-9-[3-(morpholin-4-yl)propyl]-3,9-diazabicyclo[3.3.1]nonane--hydrogen chloride--water (1/3/3)