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Berberrubine diiodide

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Identification
Molecular formula
C46H42I2N2O8
CAS number
66278-63-3
IUPAC name
5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;diiodide
State
State

At room temperature, berberrubine diiodide is a solid. It is usually found as a crystalline substance due to its complex ring structure and ionic interaction from the diiodide.

Melting point (Celsius)
207.00
Melting point (Kelvin)
480.15
Boiling point (Celsius)
415.00
Boiling point (Kelvin)
688.15
General information
Molecular weight
1008.22g/mol
Molar mass
1 008.2200g/mol
Density
1.4592g/cm3
Appearence

Berberrubine diiodide typically appears as a yellow to orange crystalline solid. It has a distinctive look that is quite characteristic of many alkaloid compounds, which are often noted for their bright colors.

Comment on solubility

Solubility of 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;diiodide

The solubility of the compound 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium;diiodide is influenced by several factors due to its complex and large molecular structure. Given that this compound features both hydrophilic and hydrophobic regions, its solubility can vary widely between different solvents. Here are some key points regarding its solubility:

  • Solvent Polarity: This compound is likely to be more soluble in polar solvents such as water or alcohols due to the presence of multiple functional groups that can interact favorably with polar molecules.
  • Potential for Ionic Interaction: Being a diiodide, the presence of iodide ions may also contribute to solubility in aqueous solutions, especially in cases where ion pairing or dissociation occurs.
  • Hydrophobic Interaction: Conversely, the hydrophobic decyl group may create challenges for solubility in more polar solvents, potentially leading to reduced solubility overall.
  • Temperature Dependence: Solubility is also likely to be temperature-dependent; elevated temperatures may increase the solubility of this compound in various solvents.

Ultimately, the solubility profile of this intricate molecule suggests a nuanced interplay between its chemical structure and the chosen solvent, making experimental validation essential for precise solubility measurements.

Interesting facts

Interesting Facts about 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium; diiodide

This uniquely structured compound is a fascinating example of medicinal chemistry, combining complex organic frameworks with promising biological applications. Here are some notable aspects of this compound:

  • Diverse Chemical Structure: The presence of multiple benzodioxole units and isoquinolinium cores suggests a highly intricate molecular geometry, which could impart significant electronic properties and steric effects.
  • Potential Biological Activity: Compounds featuring isoquinoline derivatives have been widely studied for their potential therapeutic applications, which include activities such as antitumor, antidepressant, and antimicrobial properties.
  • Interaction with Cellular Targets: The design of this compound may enable it to effectively interact with specific cellular targets, providing avenues for drug development in treating various diseases.
  • Analogous Research: Researchers often investigate similar compounds to determine structure-activity relationships, paving the way for optimization and synthesis of more potent derivatives.
  • Polyvalent Nature: The molecular structure hints at potential multifunctionality, allowing for possible development as a versatile pharmacophore in various chemical contexts.

In summary, the intricate design of this compound holds tremendous promise for further research into its therapeutic applications, and studying its properties can advance our understanding of complex molecular systems in medicinal chemistry. As with many other candidates in this field, it serves as a reminder of the exciting challenges and discoveries awaiting researchers in the realm of chemical compounds.

Synonyms
20232-95-5
1,3-Dioxolo(4,5-g)isoquinolinium, 6,6'-decamethylenebis(5,6,7,8-tetrahydro-6-methyl-5-(3,4-(methylenedioxy)phenyl)-, diiodide