Esomeprazole | Solubility of Things

Identification

Molecular formula

C₁₇H₁₉NO₃S

CAS number

119141-88-7

IUPAC name

7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

State

At room temperature, esomeprazole is typically a solid. It is stable under recommended storage conditions and should be kept away from moisture and light.

Melting point (Celsius)

155.00

Melting point (Kelvin)

428.15

Boiling point (Celsius)

454.20

Boiling point (Kelvin)

727.35

General information

Molecular weight

345.42g/mol

Molar mass

345.4190g/mol

Density

2.1700g/cm³

Appearence

This compound typically appears as a light yellow to off-white crystalline powder. The compound may seem amorphous when impurities are present.

Comment on solubility

Solubility of 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

The solubility of the compound with the formula C₁₇H₁₉NO₃S can be influenced by numerous factors due to its complex structure. This compound features multiple functional groups, which can significantly impact its interactions with solvents. Some important considerations include:

Polarity: The presence of hydroxyl (-OH) and carbonyl (C=O) groups suggests that this compound may have a certain degree of polarity, potentially increasing its solubility in polar solvents such as water or alcohols.
Hydrophilicity vs. Hydrophobicity: The molecular structure also includes hydrophobic regions, likely making the compound more soluble in non-polar solvents like organic solvents (e.g., ethanol, acetone).
pH Dependency: The solubility could vary with pH, particularly due to the amine and hydroxyl groups. It may become more soluble in either acidic or basic conditions owing to protonation or deprotonation reactions.

Overall, while this compound shows potential solubility in various solvents, the exact solubility profile is best determined through experimental studies. As stated, "the structure of the compound is pivotal to understanding its solubility characteristics." Therefore, laboratory testing under controlled conditions is essential to accurately assess its solubility in specific solvents.

Interesting facts

Interesting Facts about 7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl)oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

This complex compound, often referred to by its distinct structure, is an intriguing example of the diverse world of organic chemistry. Below are some fascinating insights:

Versatile Structural Units: The compound features multiple structural units including a chromene framework and a tetrahydropyran moiety, which together contribute to its unique chemical properties and biological activities.
Biological Significance: Compounds that contain chromene derivatives are often recognized for their potential therapeutic applications. They may exhibit antioxidant, anti-inflammatory, and antimicrobial properties, making them of great interest in medicinal chemistry.
Natural Sources: Similar compounds have been isolated from various plants, and they are thought to play significant roles in plant defense mechanisms. The presence of hydroxyl groups greatly enhances their interaction with biological systems.
Complexity in Synthesis: The synthesis of such compounds often involves multi-step reactions, which may include strategies like functional group manipulation and protection-deprotection sequences. This complexity is a testament to the advanced techniques used in synthetic organic chemistry.
Research Potential: Continuous research is likely to explore this compound's properties further, particularly in terms of its pharmacological effects and applications in drug development.

In summary, this compound is not just a simple chemical entity; it represents a potential treasure trove of applications linked to its rich structural composition. As quoted by many chemists, “The most beautiful discovery of science would be that of a new chemical reaction.” This compound is a reminder of the excitement and mystery that the field of chemistry holds.

Synonyms

STK384951

AKOS005453507

7-{[4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-4-olate (non-preferred name)