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Tropisetron

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Identification
Molecular formula
C17H21N3O·3HCl·3H2O
CAS number
89565-68-4
IUPAC name
3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethyl-propan-1-amine;trihydrate;trihydrochloride
State
State

At room temperature, tropisetron hydrochloride trihydrate is typically a solid in its trihydrate form. The compound is used in pharmaceutical applications and is stored in a stable, cool environment to prevent degradation.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
374.00
Boiling point (Kelvin)
647.15
General information
Molecular weight
678.23g/mol
Molar mass
678.2320g/mol
Density
1.2500g/cm3
Appearence

Tropisetron hydrochloride appears as a white to almost white powder. It is quite soluble in water and may appear as a crystalline solid.

Comment on solubility

Solubility of 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethyl-propan-1-amine;trihydrate;trihydrochloride

The solubility characteristics of this compound are intriguing due to its complex structure. As a trihydrochloride salt, it is generally expected to exhibit high solubility in aqueous solutions. Here are some key points regarding its solubility:

  • In Water: The presence of multiple hydrochloride groups typically enhances solubility in polar solvents like water. This can lead to favorable ionic interactions.
  • Temperature Influence: Solubility may increase with temperature, a common trend observed in many hydrophilic compounds.
  • pH Levels: The compound’s solubility may also be affected by the pH of the solution, as ionization of the amino groups could change under varying conditions.

It is often observed that compounds with a similar structure can show wide variations in solubility based on their chemical environment. For this compound, one can anticipate its behavior in biological settings to be significantly influenced by solubility, as it is essential for bioavailability and efficacy.

In summary: “Solubility is not just a matter of dissolving; it’s an interaction with the environment.” This emphasizes the importance of understanding the solubility of chemical compounds in both laboratory and real-world applications.

Interesting facts

Interesting Facts about 3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethyl-propan-1-amine; trihydrate; trihydrochloride

This complex compound features a unique structure that showcases intriguing properties and potential applications. Here are some fascinating aspects:

  • Diverse Applications: Compounds of this nature have found their way into various fields, particularly in medicinal chemistry, where they can act as effective motifs in drug design. The presence of the diazabicyclo structure lends a significant degree of structural rigidity and heteroatom incorporation.
  • Biological Activity: The biphasic nature of the compound hints at potential activities as psychoactive agents or in the modulation of neurotransmitter systems. Such compounds are often studied for their effects on serotonin and dopamine receptors.
  • Synthetic Routes: The synthesis of such complex organic molecules often involves multi-step reactions. Chemists utilize techniques such as ring-closing metathesis and amine alkylation to construct the bicyclic framework and introduce the benzyl substituent.
  • Solvation Phenomenon: Notably, this compound is presented as a trihydrate, indicating that each formula unit is associated with three molecules of water. This hydration can significantly influence its stability, solubility, and reactivity.
  • Importance of Hydrophilic and Hydrophobic Interactions: The balance between the hydrophilic (from the trihydrochloride salts) and hydrophobic (from the benzyl groups) portions of the molecule plays a critical role in its behavior in biological systems, impacting its pharmacokinetics.

In the realm of chemical research, the exploration of such compounds not only deepens our understanding of their structural properties but also enhances our ability to innovate new therapeutic agents. The interaction between the unique bicyclic system and functional groups epitomizes the versatility found in organic chemistry.

Synonyms
23462-15-9
3-Benzyl-9-(3-(dimethylamino)propyl)-3,9-diazabicyclo(3.3.1)nonane hydrochloride hydrate
3,9-Diazabicyclo(3.3.1)nonane, 3-benzyl-9-(3-(dimethylamino)propyl)-, hydrochloride, hydrate (1:3:3)
RefChem:272787
DTXSID00946131
3-(3-Benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride--water (1/3/3)