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Naldemedine hydrochloride

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Identification
Molecular formula
C31H36ClNO6
CAS number
63069-13-4
IUPAC name
(4S,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;hydrochloride
State
State
At room temperature, Naldemedine hydrochloride is a solid, characterized by its crystalline form which is typical for many pharmaceutical salts.
Melting point (Celsius)
142.00
Melting point (Kelvin)
415.15
Boiling point (Celsius)
184.00
Boiling point (Kelvin)
457.15
General information
Molecular weight
578.09g/mol
Molar mass
579.0460g/mol
Density
1.2600g/cm3
Appearence

Naldemedine hydrochloride is typically a white to off-white crystalline powder, indicative of its purity and form as a pharmaceutical compound.

Comment on solubility

Solubility of (4S,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; hydrochloride

The solubility of the compound (4S,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; hydrochloride is a crucial aspect of its chemical behavior and potential applications. This compound, like many hydrochlorides, is likely to exhibit greater solubility in water compared to its free base form. This increase in solubility can be attributed to the presence of the chloride ion which interacts favorably with water molecules.

Factors Influencing Solubility:

  • Ionic Nature: Being a hydrochloride, the ionic interactions enhance solubility in polar solvents.
  • Hydrophobic Groups: The presence of hydrophobic ethoxy and methyl groups may reduce solubility in water but can enhance solubility in organic solvents.
  • Temperature: Generally, increasing the temperature can increase solubility for many compounds; thus, higher temperatures may aid in dissolving this hydrochloride.
  • pH Control: The solubility can also be pH-dependent, especially if the compound can interact differently as the pH changes.

In essence, one might note that "the solubility of a compound plays a pivotal role not only in its chemical reactivity but also in its functionality in various biological systems." Understanding these solubility dynamics is vital for harnessing the full potential of this therapeutic compound in practical applications.

Interesting facts

Fascinating Insights into (4S,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; hydrochloride

This complex compound belongs to the class of isoquinolines, which are prominent in various biological processes and therapeutic applications. The intricate stereochemistry indicated by its detailed nomenclature suggests that the compound's three-dimensional arrangement significantly influences its chemical behavior and biological activity.

  • Structural Complexity: The compound features multiple rings and chiral centers, making it an excellent subject for studies in stereochemistry and pharmacology.
  • Natural Product Derivative: Similar structures are often derived from natural products and suggested to be active in various biological systems, hinting at potential uses in medicine.
  • Pharmacological Potential: Compounds with such intricate frameworks have been investigated for their possible roles as analgesics, antitumor agents, and psychoactive substances. Research in this area continues to explore their therapeutic properties.
  • Research Opportunities: The complex nature presents numerous opportunities for synthetic chemists aiming to develop novel compounds or improve existing ones.

Quote: "The art of chemistry is to transform simple molecules into structures of profound complexity." – An anonymous chemist. This reflects the challenge and allure of synthesizing compounds like this one, which embodies the intersection of natural complexity and synthetic ingenuity.

In conclusion, (4S,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol; hydrochloride is a prime example of the intricate work of chemistry holding promising avenues for future discoveries, particularly in medicinal chemistry.