Pitavastatin Defuoro IMpurity CalciuM Salt | CAS No. 1258947-30-6

Pitavastatin Defuoro IMpurity CalciuM Salt

Basic Information

CAS Number

1258947-30-6

Molecular Formula

C50H50CaN2O8

Molecular Weight

847.02 g/mol

AD

Basic Physical Properties

Melting Point

NA

[Ca].O([H])[C@@]([H])(C([H])([H])[C@]([H])(C([H])([H])C(=O)O[H])O[H])/C(/[H])=C(\[H])/C1=C(C2C([H])=C([H])C([H])=C([H])C=2[H])C2=C([H])C([H])=C([H])C([H])=C2N=C1C1([H])C([H])([H])C1([H])[H].O([H])[C@@]([H])(C([H])([H])[C@]([H])(C([H])([H])C(=O)O[H])O[H])/C(/[H])=C(\[H])/C1=C(C2C([H])=C([H])C([H])=C([H])C=2[H])C2=C([H])C([H])=C([H])C([H])=C2N=C1C1([H])C([H])([H])C1([H])[H]

InChI

1S/2C25H25NO4.Ca.2H/c2*27-18(14-19(28)15-23(29)30)12-13-21-24(16-6-2-1-3-7-16)20-8-4-5-9-22(20)26-25(21)17-10-11-17;;;/h2*1-9,12-13,17-19,27-28H,10-11,14-15H2,(H,29,30);;;/b2*13-12+;;;/t2*18-,19-;;;/m11.../s1

InChIKey

VAUZHDOGZAAZHF-OFRWZBIKSA-N

LogP

8.377200000000007

Topological Polar Surface Area

181.3 Ų

Hydrogen Bond Donor/Acceptor

6 / 10

Synonyms & References

English

  • Pitavastatin defuoro impurity calcium salt
  • Defluoro Pitavastatin Calcium Salt
  • Pitavastatin Impurity 54
  • Pitavastatin Defuoro IMpurity CalciuM Salt
  • Desfluoro Pitavastatin Calcium
  • Pitavastatin Defuoro impurity
  • Pitavastatin Impurity 6(Pitavastatin Calcium Desfluoro Impurity)
  • Pitavastatin impurity 7/Desfluoro Pitavastatin Calcium Salt
  • Pitavastatin Defuoro Calcium Salt
  • Pitavastatin Defluoro Impurity Calcium
  • (3R,5S,E)-7-(2-cyclopropyl-4-phenylquinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
  • calcium salt (2:1)

FAQ

What are the physical and chemical properties of Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6)?

Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6) is a white to off-white crystalline powder with a molecular weight of approximately 643.39 g/mol. It is sparingly soluble in water and ethanol. The compound is relatively stable under normal conditions but reacts with strong acids and bases. It has a melting point range of 190-200°C and good solubility in organic solvents like chloroform and dichloromethane.

How is Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6) typically synthesized?

Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6) is typically synthesized through a multi-step process involving the modification of pitavastatin structure, followed by calcium salt formation. Key steps include the introduction of a defuorinated group using appropriate reagents, followed by calcium salt formation. The process often employs mild conditions and uses a variety of solvents. The yield is typically around 80-90%, and the reaction is performed under an inert atmosphere to prevent oxidation.

What industries use Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6)?

Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6) is primarily used in the pharmaceutical industry for research purposes, particularly in the evaluation of pitavastatin derivatives. It may also have applications in the development of new calcium channel blockers. Due to its specific chemical structure, it might also find uses in specialized chemical and biological research.

What precautions should be taken when handling Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6)?

When handling Pitavastatin Defuoro IMpurity CalciuM Salt (CAS: 1258947-30-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information and guidelines.

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