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CAS 344920-08-7

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Atorvastatin calcium salt trihydrate

Description:
Atorvastatin calcium salt trihydrate is a pharmaceutical compound primarily used as a lipid-lowering agent to manage hyperlipidemia and reduce cardiovascular risk. It belongs to the class of statins, which function by inhibiting HMG-CoA reductase, an enzyme crucial for cholesterol biosynthesis in the liver. The compound is characterized by its calcium salt form, which enhances its solubility and stability. As a trihydrate, it contains three molecules of water, influencing its physical properties, such as hygroscopicity and crystallinity. Atorvastatin is typically administered in oral form and is known for its efficacy in lowering low-density lipoprotein (LDL) cholesterol levels while raising high-density lipoprotein (HDL) cholesterol. The substance is generally well-tolerated, though it may have side effects, including muscle pain and liver enzyme alterations. Its molecular structure includes a complex arrangement of carbon, hydrogen, nitrogen, and oxygen atoms, contributing to its biological activity and pharmacokinetics. Overall, atorvastatin calcium salt trihydrate plays a significant role in modern cardiovascular therapy.
Formula:C33H35FN2O5Ca·3H2O
InChI:InChI=1S/C33H35FN2O5.Ca.3H2O/c1-21(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;;;;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/t26-,27-;;;;/m1..../s1
InChI key:InChIKey=RXUWMYOMJVIRSX-NZIRIKNKSA-N
SMILES:C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(O)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca].O
Synonyms:
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt, hydrate (2:1:6), (βR,δR)-
  • Lipitor trihydrate
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), hexahydrate, (βR,δR)-
  • Atorvastatin calcium salt trihydrate
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