di(2-Hydroxy Atorvastatin-d5) Calcium Salt

  • Deuterium
  • CAT Number: C000476
  • CAS Number: 265989-47-7
  • Molecular Formula: C₆₆H₅₈D₁₀CaF₂N₄O₁₂
  • Molecular Weight: 1197.42
  • Purity: ≥95%
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di(2-Hydroxy Atorvastatin-d5) Calcium Salt(Cat No.:C000476) is a high-purity deuterated compound crucial for advanced pharmaceutical and biochemical research. Featuring five deuterium atoms, this isotopically labeled version of Atorvastatin is essential for studying cholesterol-lowering mechanisms, drug metabolism, and pharmacokinetics. It enhances the precision and accuracy of analytical techniques such as mass spectrometry and NMR spectroscopy, ensuring reliable results. Ideal for drug development and metabolic research, di(2-Hydroxy Atorvastatin-d5) Calcium Salt integrates seamlessly into existing protocols, offering a robust, cost-effective solution for high-precision scientific investigations.

Catalog Number C000476
CAS Number 265989-47-7
Synonyms

(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-d5-1H-pyrrole-1-heptanoic Acid Calcium Salt (2:1)

Molecular Formula

C₆₆H₅₈D₁₀CaF₂N₄O₁₂

Purity 95%
Solubility DMSO (Slightly), Methanol (Slightly)
Storage -20°C, Inert atmosphere
IUPAC Name calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
InChI InChI=1S/C33H35FN2O6.Ca/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;+2/p-1/t24-,25-;/m1./s1/i3D,4D,5D,8D,9D;
InChIKey FMMSIVYEKYZYQS-FHADZASJSA-M
SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3O)C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Ca+2]

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