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Clarithromycin

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Identification
Molecular formula
C38H69NO13
CAS number
81103-11-9
IUPAC name
ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate
State
State

At room temperature, Clarithromycin appears as a solid crystalline powder.

Melting point (Celsius)
70.50
Melting point (Kelvin)
343.65
Boiling point (Celsius)
142.00
Boiling point (Kelvin)
415.15
General information
Molecular weight
747.96g/mol
Molar mass
747.9570g/mol
Density
1.1710g/cm3
Appearence

Clarithromycin is typically a white to off-white crystalline powder. It is practically insoluble in water, and soluble in acetone, slightly soluble in methanol and ethanol, and very slightly soluble in acetonitrile.

Comment on solubility

Solubility of Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate

Understanding the solubility of ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate is crucial for its application in various fields, especially in pharmaceuticals. The solubility of this compound can depend on several key factors:

  • Polarity: The presence of polar functional groups like the hydroxyl (-OH) and carbonyl (C=O) groups can enhance solubility in polar solvents such as water.
  • Molecular Weight: Higher molecular weight compounds often exhibit lower solubility. However, the structural characteristics of this compound suggest moderate solubility potential.
  • Temperature: Increased temperature can lead to higher solubility for many organic compounds, thus affecting its dissolution process.
  • pH: The solubility can vary with changes in pH, particularly for compounds containing acidic or basic functional groups.

In general, **solubility trends** indicate that compounds with a balance between hydrophilic and hydrophobic features tend to exhibit better overall solubility. As a result:

  1. The **hydrophilic parts** of this compound may solubilize well in aqueous environments.
  2. However, due to its complex structure and potential steric hindrance, the solubility in non-polar solvents may be limited.

In conclusion, the solubility of ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate is a combined result of its molecular structure and environmental conditions. It is vital to consider these factors to optimize the use of this compound effectively in both laboratory and industrial applications.

Interesting facts

Interesting Facts about Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate

Ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate is a fascinating compound that exhibits a combination of functionality and structural complexity, making it a subject of interest in medicinal chemistry. Here are some compelling characteristics:

  • Complex Structure: The compound features a unique isochromane core, which is known for its diverse biological activities, contributing to the field of pharmacognosy.
  • Potential Biological Activity: With a functional group configuration that includes a chloro and hydroxy substituent, it may exhibit significant medicinal properties, particularly in the development of therapeutic agents.
  • Amino Acid Derivative: Its structure includes an amino acid component, which makes it relevant in the study of peptide synthesis and biochemistry.
  • Enantiomeric Configuration: The designation of (2S) and (3R) indicates that this compound is chiral, which may lead to different biological activities for its enantiomers, an important consideration in drug design.
  • Historical Relevance: Compounds like this are often derived from natural products, and understanding their synthesis opens doors to the exploration of novel pharmacological agents based on traditional medicinal practices.

In summary, ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]-3-phenyl-propanoate serves as a remarkable example of how chemical modifications can lead to compounds with potential therapeutic relevance. As the field of medicinal chemistry continues to evolve, the study of such complex molecules will undoubtedly yield significant insights and applications in drug discovery.

Synonyms
OCHRATOXIN C
4865-85-4
Ochratoxin A ethyl ester
UNII-0DY21HW450
HSDB 3439
0DY21HW450
OCHRATOXIN C [MI]
OCHRATOXIN C [HSDB]
CHEBI:141525
DTXSID00964097
Alanine, N-((5-chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenyl-, ethyl ester, L-
L-Phenylalanine, N-((5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-, ethyl ester, (R)-
L-Phenylalanine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, ethyl ester, (R)-
ethyl (2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoate
ethyl N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-L-phenylalaninate
ethyl N-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}-L-phenylalaninate
L-PHENYLALANINE, N-(((3R)-5-CHLORO-3,4-DIHYDRO-8-HYDROXY-3-METHYL-1-OXO-1H-2-BENZOPYRAN-7-YL)CARBONYL)-, ETHYL ESTER
Ethyl (2S)-2-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)amino)-3-phenylpropanoate
Ethyl N-(((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl)-L-phenylalaninate
ethyl N-((3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl)-L-phenylalaninate
L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-, ethyl ester
DTXCID401391808
ethyl 2-((5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido)-3-phenylpropanoate
ethyl 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)formamido]-3-phenylpropanoate
Alanine, N((5chloro8hydroxy3methyl1oxo7isochromanyl)carbonyl)3phenyl, ethyl ester, L
(R)-N-((5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl)-L-phenylalanine ethyl ester
5-Chloro-N-(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboximidate
5-Chloro-N-(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboximidic acid
LPhenylalanine, N((5chloro3,4dihydro8hydroxy3methyl1oxo1H2benzopyran7yl)carbonyl), ethyl ester, (R)
ethyl (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoate
ethyl ((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalaninate
SCHEMBL455355
MSK7287
BPZZWRPHVVDAPT-PXAZEXFGSA-N
MSK7287-10A
AKOS040753349
DA-56372
HY-125699
CS-0093077
G13786
Ochratoxin C Solution in Acetonitrile, 10ug/mL
Q15633527
Ethyl 2-([(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl)carbonyl]amino)-3-phenylpropanoate #