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Ethoxyhexahydro-methanobenzofuro-isoquinolin-ol hydrochloride dihydrate

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Identification
Molecular formula
C20H27NO3·HCl·2H2O
CAS number
None available
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;dihydrate;hydrochloride
State
State

The compound is typically in a solid state under standard conditions, such as room temperature (25°C) and atmospheric pressure. It forms crystalline structures with notable stability due to its salt and hydrate forms.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.15
Boiling point (Celsius)
282.00
Boiling point (Kelvin)
555.15
General information
Molecular weight
375.89g/mol
Molar mass
375.8900g/mol
Density
1.1200g/cm3
Appearence

The compound typically appears as a white crystalline powder or solid. Due to its dihydrate form, it may also appear slightly hygroscopic, absorbing moisture from the environment. This property can cause the compound to agglomerate if exposed to air for extended periods.

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; dihydrate; hydrochloride

The solubility of this compound, a dihydrochloride salt, can be influenced by a number of factors, leading to a unique profile in various solvents. Typically, hydrochloride salts are known for their improved solubility in water compared to their free base counterparts. This characteristic is often attributed to the ionic nature of the salt, which enhances interactions with polar solvents.

Key factors affecting solubility include:

  • Polarity of the solvent: The presence of an electron-rich functional group (like ethoxy in this compound) may increase solubility in polar solvents such as water.
  • Temperature: Generally, increasing the temperature can enhance solubility, especially for salts.
  • pH levels: The solubility may also vary at different pH levels; specific ionization at certain pH levels could affect solubility dramatically.

As a rule of thumb, one might say, “the solubility of a compound predicts its bioavailability.” In biological systems, this solubility is vital for the absorption of the compound and its subsequent pharmacological activity.

Ultimately, while specific solubility data for this complex compound may not be readily available, we can infer based on its characteristics that it will likely exhibit good water solubility, enhancing its potential applications in various fields, particularly in pharmaceuticals.

Interesting facts

Interesting Facts about (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; dihydrate; hydrochloride

This complex organic compound is a remarkable example of the intricate nature of chemical structures. Here are some fascinating aspects of this compound that highlight its significance in the realm of chemistry:

  • Stereochemistry: The nomenclature denotes a specific arrangement of chiral centers, indicated by the multiple stereocenters present in the compound. Understanding this stereochemistry is crucial for predicting the compound's behavior in biological systems.
  • Structural Diversity: The presence of various functional groups, including a methanobenzofuro unit and an isoquinoline moiety, illustrates the compound's potential versatility and reactivity. Such structural diversity often leads to intriguing biological activity.
  • Therapeutic Potential: Compounds with isoquinoline and related derivatives have been studied for their medicinal properties, including antitumor and neuroprotective effects. This raises questions about the specific activities of this compound and its derivatives.
  • Solubility Considerations: The dihydrate form suggests that this compound may exhibit unique solubility characteristics, which are often essential for its pharmacokinetics in medicinal chemistry.

As a chemistry student or scientist, one might be inspired by the statement: "The molecular complexity often reflects the vast possibilities inherent in understanding nature's tiniest building blocks." Such compounds emphasize how the combination of different molecular frameworks can lead to novel properties and applications.

In summary, the examination of this compound opens doors to explore not just its chemical properties, but also its potential implications in drug design and development, showcasing the marriage of chemistry and pharmacology.