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Tetrodotoxin

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Identification
Molecular formula
C11H17N3O8
CAS number
4368-28-9
IUPAC name
[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate
State
State
Tetrodotoxin is a solid at room temperature. It is typically handled as a carefully measured and contained powder in laboratory settings due to its highly toxic nature.
Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.15
General information
Molecular weight
319.27g/mol
Molar mass
319.2690g/mol
Density
1.0000g/cm3
Appearence
Tetrodotoxin, commonly abbreviated as TTX, is typically found as a white crystalline powder. This appearance is common for its pure and refined form, although in nature it can be dissolved in the bodily fluids of marine animals where it originated. Appearance Details: In its crystalline form, it is a solid that is primarily used in research applications.
Comment on solubility

Solubility of [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate

The solubility characteristics of this complex organic compound can be intriguing due to its unique structural features. Here's what we can infer about its solubility:

  • Polar Groups: The presence of -OH (hydroxyl) groups suggests high polarity, which may enhance the compound's ability to dissolve in polar solvents such as water.
  • Hydrophobic Components: Parts of the structure may be hydrophobic, leading to potential challenges in solubility in non-polar solvents.
  • Hydrogen Bonding: The multiple hydroxyl groups can participate in hydrogen bonding, increasing interactions with solvents that can further improve solubility.
  • Temperature Influence: As is common with many organic compounds, solubility could vary significantly with temperature. Elevated temperatures may increase solubility due to increased molecular motion.

It's important to experimentally determine the solubility of this compound in various solvents for practical applications. In conclusion, while theoretical predictions offer some insight, practical observations in appropriate solvent systems are essential for understanding its true solubility behavior.

Interesting facts

Interesting Facts about [(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate

[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methyl-butanoate, commonly recognized in the field of medicinal chemistry, is a compound with intriguing potential. Here are some fascinating insights:

  • Stereochemistry: This compound features multiple chiral centers, denoting that its stereochemistry plays a critical role in its biological activity. As noted by chemists, "The configuration of chiral centers can dramatically influence the pharmacological profile of a drug."
  • Biological Relevance: The compound is of particular interest in the study of alkaloids, which are natural compounds derived from plants that often exhibit significant physiological effects on humans and other animals.
  • Pyrrolizidine derivatives: Its structure contains a pyrrolizidine ring, which is known to be associated with a variety of effects, making it a subject of interest in toxicity research. Understanding these derivatives helps in assessing safety profiles in pharmaceutical applications.
  • Synthetic Pathways: The synthesis of this compound often involves complex reactions that can include stereoselectivity and functionalization techniques that are currently studied in the field of organic synthesis.
  • Potential Applications: Research is ongoing regarding its possible applications in formulations targeting conditions such as inflammation and oxidative stress, illustrating its role in therapeutic development.

In summary, this compound not only provides a wealth of information regarding its rigorous chemical structure but also opens avenues for exploration in medicinal chemistry and synthetic methodology. Its intricate design and functions symbolize the beauty of chemistry and its impact on the understanding of complex biological systems.

Synonyms
Echinatine
[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
480-83-1
FS-6695
G89272