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Ergoloid

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Identification
Molecular formula
C35H41N5O5
CAS number
8067-24-1
IUPAC name
7-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
State
State

At room temperature, ergoloid is typically in a solid state. It remains stable under normal conditions of use and storage, presenting as small to medium-sized crystals or powder form depending on its processing.

Melting point (Celsius)
322.00
Melting point (Kelvin)
595.15
Boiling point (Celsius)
636.15
Boiling point (Kelvin)
909.15
General information
Molecular weight
579.74g/mol
Molar mass
580.7340g/mol
Density
1.3400g/cm3
Appearence

Ergoloid appears as a crystalline solid, which may have a distinct crystalline structure based on its preparation method. The color of the crystals can vary, often presenting in a white to off-white shade. It does not have a noticeable odor.

Comment on solubility

Solubility of 7-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (C35H41N5O5)

The solubility of this complex compound is influenced by its intricate structure and functional groups. Understanding its solubility is crucial for applications in pharmaceuticals and material science. Here are several key points to consider:

  • Polarity: The presence of polar functional groups, such as the carbamoyl and dimethylamino groups, can enhance solubility in polar solvents like water.
  • Hydrophobic regions: The large hydrophobic indole and hexahydroquinoline structures may limit solubility in aqueous environments, making the compound more soluble in nonpolar organic solvents.
  • pH dependency: The solubility may vary with pH due to ionization of the amino groups; a more alkaline environment could improve solubility by protonating these groups.
  • Solvent effects: The choice of solvent plays a critical role. For instance, solvents like methanol and ethanol may show better solubilization than hexane due to higher polarity.

In conclusion, the solubility of C35H41N5O5 is a balance of its functional group interactions and the overall structure, making it a subject of interest for both researchers and formulators. Further studies are necessary to establish precise solubility parameters under various conditions.

Interesting facts

Interesting Facts About 7-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

This intriguing compound belongs to a class of organic molecules known for their complex structures and potential biological activity. Here are some fascinating highlights:

  • Structural Complexity: The compound features a highly intricate molecular framework that includes multiple functional groups. This complexity can often lead to novel properties and challenges in synthesis.
  • Biological Significance: Compounds like this often gain attention in medicinal chemistry. They may exhibit various biological activities, making them potential candidates for drug development.
  • Mechanism of Action: The presence of the dimethylamino group may impart unique interactions at the molecular level, potentially influencing neurotransmitter systems in the body.
  • Variability in Activity: Due to its versatile structure, this compound might have differing effects based on slight changes in its configuration, which emphasizes the *importance of structural modifications* in drug design.
  • Allylic Substituents: The presence of the allyl group is noteworthy, as such moieties are often linked to increased reactivity and the ability to participate in further chemical transformations.
  • Research Opportunities: The complexity and potential of this compound create an exciting opportunity for ongoing research, especially in exploring its efficacy against various biological targets.

As highlighted by various studies, the unique combination of structural features may lead to unexpected interactions and effects. Chemists and researchers are continuously investigating such compounds to unlock their full potential in pharmaceuticals and beyond. The realm of indole derivatives promises a plethora of possibilities for future discoveries.

Synonyms
Cabergoline-d5
N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
NCGC00167821-01
1426173-20-7
CHEMBL1898147
BDBM86052
CHEBI:91795
DTXSID20861039
HMS3269L07
BHC17320
GJB67633
CAS_54746
NSC_54746
L000974
BRD-A63043573-001-01-6
Q27163596
N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide