Skip to main content

Atorvastatin

ADVERTISEMENT
Identification
Molecular formula
C33H35FN2O5
CAS number
134523-03-8
IUPAC name
N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
State
State

The compound is solid at room temperature and typically exists as a crystalline powder.

Melting point (Celsius)
159.00
Melting point (Kelvin)
432.15
Boiling point (Celsius)
785.30
Boiling point (Kelvin)
1 058.45
General information
Molecular weight
558.65g/mol
Molar mass
1 209.4160g/mol
Density
1.2100g/cm3
Appearence

Atorvastatin calcium is typically an off-white to light yellow crystalline powder.

Comment on solubility

Solubility of N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

The solubility of N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide (C33H35FN2O5) presents an intriguing case. Generally, the solubility of a compound is influenced by several factors, including its molecular structure, polarity, and intermolecular interactions:

  • Molecular Structure: The complex structure of this compound, which includes multiple functional groups, can affect how readily it dissolves in various solvents.
  • Polarity: The presence of hydroxyl (-OH) groups typically increases solubility in polar solvents such as water, while larger hydrophobic sections may lead to greater solubility in organic solvents.
  • Hydrogen Bonding: The -OH groups suggest that there could be significant hydrogen bonding interactions, which could enhance solubility in polar environments.
  • Size and Weight: Being a relatively large molecule, solubility might be limited in pure water but may find better solubility in organic solvents or mixed solvent systems.

In summary, while the solubility of N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide can vary, it is likely to exhibit favorable solubility characteristics in polar organic solvents due to its varied functional groups and potential for hydrogen-bonding interactions. Overall, detailed solubility studies are warranted to elucidate its behavior in different solvent systems.

Interesting facts

Exploring N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

This intriguing compound, N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide, embodies a fascinating blend of structural complexity and potential applications. It showcases important features that make it a subject of interest for chemists:

  • Structural Diversity: The presence of multiple functional groups, including hydroxy, amine, and sulfanyl moieties, contributes to its rich chemical reactivity. This structural richness is essential in medicinal and organic chemistry.
  • Pharmacological Potential: Compounds like this one can be evaluated for their biological activities. The isoquinoline core is known for its diverse biological effects, and the intricate side chains may enhance its efficacy or selectivity as a drug candidate.
  • Applications in Drug Design: With ongoing research in drug design, this compound's unique structure may prove useful in targeting specific biological pathways, especially in developing therapies for conditions involving the nervous system or metabolic disorders.
  • Analytical Techniques: The intricate nature of this compound presents challenges that make it an excellent candidate for testing advanced analytical techniques, such as NMR spectroscopy and mass spectrometry, to elucidate its structure and confirm purity.

As we delve deeper into the chemistry of this compound, we can be inspired by the words of Richard Feynman, who once said, “What I cannot create, I do not understand.” Studying compounds like N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide not only enhances our understanding of complex organic compounds but also opens doors to innovative therapeutic strategies in modern medicine.

Synonyms
CHEMBL365442
SCHEMBL1176337
DTXSID50861426
CHEBI:181991
HMS3370C15
SYB62970
AKOS040759256
N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
DB-043442
N-tert-Butyl-2-[2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
N-tert-butyl-2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide