Atorvastatin-d5 Calcium Salt

• CAT Number: R044858
• CAS Number: 222412-82-0
• Molecular Formula: C33H35CaFN2O5
• Molecular Weight: 603.759
• Purity: ≥95%
• Synonyms: (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid Calcium Salt (2:1); Atorvastatin-d5 Hemicalcium
• Target: Autophagy
• Storage: Desiccate at RT
• IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• InChI: InChI=1S/C33H35FN2O5.Ca/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);/q;+2/p-1/t26-,27-;/m1./s1/i3D,5D,6D,9D,10D
• InChIKey: DYJKAHNDTTZSNX-ADFDHUHVSA-M
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Ca+2]

Atorvastatin-d5 Calcium Salt is a deuterium-labeled form of atorvastatin calcium, a widely prescribed statin used to lower cholesterol levels and prevent cardiovascular disease. It works by inhibiting HMG-CoA reductase, the enzyme responsible for cholesterol synthesis in the liver. This labeled compound is crucial in pharmaceutical research for conducting pharmacokinetic and bioavailability studies using mass spectrometry, allowing for precise tracking of the drug and its metabolites. Additionally, it serves as an internal standard in analytical methods to ensure accuracy in drug quantification, supporting the development of atorvastatin formulations and ensuring their efficacy and safety in clinical use.