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Indotecan

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Identification
Molecular formula
C36H44N6O6
CAS number
196618-13-0
IUPAC name
6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
State
State

Indotecan is a solid at room temperature. As with many pharmaceutically active compounds, it remains stable in solid form under standard conditions.

Melting point (Celsius)
217.00
Melting point (Kelvin)
490.15
Boiling point (Celsius)
446.30
Boiling point (Kelvin)
719.45
General information
Molecular weight
644.77g/mol
Molar mass
644.7190g/mol
Density
1.3542g/cm3
Appearence

Indotecan is typically a white to off-white crystalline powder. It is visually recognized by its fine, solid appearance, reminiscent of many pharmaceutical compounds used in drug formulations.

Comment on solubility

Solubility of 6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone (C36H44N6O6)

The solubility of this complex compound is influenced by its unique structure, comprising multiple functional groups and a diverse collection of atoms. As a rule of thumb, the polarity and hydrophobic/hydrophilic balance often determine solubility. In the case of this compound, several factors play pivotal roles:

  • Functional Groups: The presence of carbonyl groups (–C=O) and nitrogen atoms (–N) suggests potential interactions with polar solvents.
  • Hydrocarbon Chains: The long hydrocarbon octyl chain adds to hydrophobic characteristics, which may limit solubility in polar solvents.
  • Indole Moiety: The methoxyindole structure can influence solubility, particularly in organic solvents.
  • Conjugation and Steric Effects: The bicyclic arrangement and branching can also impact solubility, as steric hindrance can either inhibit or promote solvation.

Overall, we can hypothesize that the solubility of this compound is:

  1. Higher in organic solvents: Given its hydrophobic characteristics from the alkyl group.
  2. Lower in water: Due to the lack of sufficient polar functional groups to interact favorably with water molecules.

To sum up, understanding the solubility of complex organic compounds like this one is crucial for their practical application in various fields such as pharmaceuticals and materials science.

Interesting facts

Interesting Facts about 6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

This remarkable compound, with a complex structure, presents a fascinating study in the realm of organic chemistry. Here are some interesting insights:

  • Unique Structure: The compound belongs to a class characterized by a tetrazabicyclo framework, which is known for its intriguing properties and potential applications in various fields.
  • Bioactivity: Many derivatives of this compound and related tetrazabicyclo structures exhibit significant biological activity, making them valuable in medicinal chemistry. Researchers are continuously investigating their potential therapeutic effects.
  • Indole Moiety: The presence of the indole group is notable, as indoles are often found in biologically important molecules, including many natural products and pharmaceuticals.
  • Versatile Functionalization: The oxooctyl and methoxy functionalities provide sites for further chemical modifications, allowing chemists to develop a variety of derivatives with tailored properties.
  • Applications: Compounds like this can be explored for their potential as fluorescent probes, drug delivery systems, or components in organic materials due to their distinctive electronic characteristics.

Overall, 6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone serves as an exemplary model for studying advanced organic compounds that bridge the gap between synthetic chemistry and biological applications. Its unique blend of structural features makes it a subject worth exploring for future innovations.

Synonyms
OSI 2040