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Cetrorelix

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Identification
Molecular formula
C70H92N18O14S
CAS number
120287-85-6
IUPAC name
[2-(4-guanidinobutylcarbamoyl)-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulfate
State
State

At room temperature, Cetrorelix is a solid, typically delivered as a dry powder for reconstitution before use. It requires storage under refrigerated conditions to maintain stability before it is prepared for administration.

Melting point (Celsius)
96.00
Melting point (Kelvin)
369.15
Boiling point (Celsius)
238.00
Boiling point (Kelvin)
511.15
General information
Molecular weight
1299.45g/mol
Molar mass
1 299.4450g/mol
Density
1.2300g/cm3
Appearence

Cetrorelix appears as a white to off-white powder. It is typically provided in a lyophilized form for reconstitution and injection.

Comment on solubility

Solubility of 2-(4-guanidinobutylcarbamoyl)-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulfate (C70H92N18O14S)

Understanding the solubility of a compound like 2-(4-guanidinobutylcarbamoyl)-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl] hydrogen sulfate requires consideration of various factors due to its complex structure. Here are some key points:

  • Hydrophilicity vs. Hydrophobicity: This compound has multiple polar functional groups, such as carboxamides and hydroxyls, which typically enhance water solubility.
  • Size and Complexity: With a large molecular structure (C70H92N18O14S), the steric hindrance might influence its ability to dissolve.
  • Ionic Nature: The presence of the hydrogen sulfate group can lead to improved solubility in polar solvents. Salts often have high solubility due to their ionic character.
  • Solvent Effects: Solubility may vary significantly between solvents. Water is expected to be a good solvent, whereas non-polar solvents may show much lower solubility.
  • Temperature Dependency: Like many compounds, the solubility may increase with temperature, making it essential to consider when conducting solubility tests.

In summary, the solubility of this compound is likely influenced by its extensive polar functional groups and ionic characteristics, suggesting a favorable solubility profile in water and other polar solvents, though individual testing is crucial for definitive conclusions.

Interesting facts

Interesting Facts about 2-(4-guanidinobutylcarbamoyl)-1-[2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-6-yl hydrogen sulfate

This compound, which can be quite a mouthful, is notable for its complex structure and potential applications in various fields of research. Here are some fascinating aspects to note:

  • Biological Relevance: The presence of multiple functional groups, including guanidino and hydroxyl groups, suggests potential biological activity, making it a candidate for further studies in medicinal chemistry.
  • Design and Synthesis: The intricate arrangement of the indole moiety in this compound reflects advanced synthetic methodologies in organic chemistry. Creating such multi-functional architectures often involves a variety of chemical reactions, showcasing the creativity required in the laboratory.
  • Pharmacological Investigations: Due to its structural complexity, it could hold promise in pharmaceutical applications, potentially acting as a novel therapeutic agent targeting specific biological pathways.
  • Structure-Activity Relationship (SAR): Researchers might utilize this compound to evaluate the impact of its unique structural features on biological activity, thereby expanding the understanding of similar compounds in drug development.

In summary, the intriguing chemical structure of this complex molecule not only highlights the beauty of organic synthesis and the vast potential for therapeutic application but also serves as a reminder of the endless possibilities that chemistry offers. As highlighted by renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas." This compound exemplifies the innovative spirit of chemists dedicated to exploring uncharted territories in chemical research.

Synonyms
aeruginosin 98-b
CHEMBL3085289
BDBM50218585