(3S,5R)-Atorvastatin Calcium Salt | CAS No. 887196-25-0

(3S,5R)-Atorvastatin Calcium Salt

Basic Information

CAS Number

887196-25-0

Molecular Formula

C66H68CaF2N4O10

Molecular Weight

1155.34 g/mol

AD

Basic Physical Properties

Melting Point

160℃ (decomposition)

CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]

InChI

InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27+;/m11./s1

InChIKey

FQCKMBLVYCEXJB-ZDYNVFCDSA-L

LogP

6.38660

Complexity

817

Synonyms & References

English

  • Isoatorvastatin Calcium
  • (3S,5R)-Atorvastatin Calcium Salt
  • 3-epi-Atorvastatin Calcium Salt
  • Atorvastatin Related Compound B
  • Calcium (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
  • 3S,5R isoMer, or (3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calciuM salt
  • (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt
  • (Calcium (3S,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate (1:2))
  • Calcium (βS,δR)-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate (1:2) (ACI)
  • (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
  • calcium (2:1)
  • 887196-25-0
  • Calcium;(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
  • AKOS025404982

MDL Number

MFCD24682768

FAQ

What regulatory guidelines apply to (3S,5R)-Atorvastatin Calcium Salt (CAS: 887196-25-0)?

(3S,5R)-Atorvastatin Calcium Salt (CAS: 887196-25-0) falls under the regulatory guidelines of the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals. It also complies with REACH regulations in the EU, and meets FDA and EPA requirements for pharmaceuticals. Manufacturer and users are advised to consult the Material Safety Data Sheet (MSDS) for detailed safety information and compliance measures.

Are there alternatives to (3S,5R)-Atorvastatin Calcium Salt (CAS: 887196-25-0) in synthesis?

Synthesis alternatives to (3S,5R)-Atorvastatin Calcium Salt include using (3R,5R)-Atorvastatin or other statin analogs such as (3S,5R)-Rosuvastatin Calcium Salt. Isomers and different reagents can be explored to achieve similar therapeutic effects. However, detailed studies are required to ensure equivalent efficacy and safety.

What is the market or research trend for (3S,5R)-Atorvastatin Calcium Salt (CAS: 887196-25-0)?

The market for (3S,5R)-Atorvastatin Calcium Salt is stable but showing a gradual decline due to the availability of newer statins. Research trends are focusing on optimizing its synthesis processes and exploring its potential in combination therapies. Additionally, there is growing interest in its use in cardiovascular disease treatment and its impact on lipid metabolism.

How should waste containing (3S,5R)-Atorvastatin Calcium Salt (CAS: 887196-25-0) be handled?

Waste containing (3S,5R)-Atorvastatin Calcium Salt should be collected in appropriate containers and stored in a secure area. Incineration or professional waste disposal services are recommended. Environmental protection measures include proper labeling and handling to prevent contamination. Users are advised to follow local regulations and consult with environmental agencies for specific disposal guidelines.

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