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Abacavir

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Identification
Molecular formula
C14H18N6O
CAS number
136470-78-5
IUPAC name
2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
State
State

At room temperature, Abacavir is typically in a solid state.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
286.33g/mol
Molar mass
286.3310g/mol
Density
1.5000g/cm3
Appearence

Abacavir is a white to off-white crystalline powder. It is freely soluble in water and methanol, slightly soluble in ethanol, but practically insoluble in ethyl acetate and n-heptane.

Comment on solubility

Solubility of 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol: C14H18N6O

The solubility characteristics of the compound 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol primarily depend on its polar functional groups and structural configuration. Key factors include:

  • Hydroxyl Groups: The presence of multiple hydroxyl groups (-OH) enhances hydrogen bonding capabilities, increasing solubility in polar solvents like water.
  • Polymeric Structure: The complex ring system may affect the overall molecular interactions, influencing its solubility behavior.
  • pH Dependence: Solubility may vary with pH due to ionization effects; acidic or basic environments can significantly alter the compound's solubility characteristics.

Moreover, it can be stated that:

  • High Polarity: The overall polarity of the molecule suggests a tendency to dissolve well in aqueous solutions.
  • Solvent Compatibility: While solubility in water appears promising, the compound's behavior in organic solvents can vary, often requiring evaluation through empirical testing.

In conclusion, the solubility of C14H18N6O can be described as potentially high in polar solvents, driven by its functional group presence and molecular structure. Testing in different environments is essential for precise solubility metrics.

Interesting facts

Interesting Facts about 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

This intriguing compound, often referred to in the context of medicinal chemistry and pharmacology, is a member of the imidazodiazepine class of compounds. Here are some fascinating aspects of this compound:

  • Pharmacological Significance: Compounds like this one are being researched for their potential therapeutic applications, particularly as anxiolytics or anti-anxiety agents.
  • Structural Complexity: The intricate structure features a fused imidazole and diazepine core, which is notable for contributing to its biological activity.
  • Hydroxymethyl Group: The presence of the hydroxymethyl group plays a crucial role in enhancing solubility and bioavailability, making the compound more effective in physiological environments.
  • Synthetic Routes: The synthetic pathways to create such compounds are often complex and can involve multiple steps, emphasizing the need for expertise in organic synthesis.
  • Potential Side Effects: Like many compounds in its class, there is ongoing research to determine the safety profile and potential side effects, which is essential for any medicinal application.
  • Research and Development: This compound is a subject of active research, reflecting the importance of chemical innovation in drug development.

As scientists continue to explore this compound, its full potential and mechanisms of action could shed light on new treatment options for anxiety disorders. The investigations into such complex molecules not only enhance our understanding of chemistry but also push the boundaries of modern medicine.

Synonyms
3-pentofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
NSC 277817
NSC277817
SCHEMBL14031897
DTXSID50911591
NCI60_002261