4-Hydroxy Atorvastatin-d5 Calcium Salt

For research use only. Not for therapeutic Use.

  • CAT Number: R042068
  • CAS Number: NA
  • Molecular Formula: C₃₃H₂₈D₅CaFN₂O₆
  • Molecular Weight: 617.73
  • Purity: ≥95%
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4-Hydroxy Atorvastatin-d5 Calcium Salt is a deuterated form of 4-hydroxy atorvastatin, an active metabolite of atorvastatin, which is a widely used statin for lowering cholesterol levels by inhibiting HMG-CoA reductase. The deuterium labeling at five specific positions in this compound enhances its stability and provides a distinct isotopic signature for use in pharmacokinetic and metabolic studies. This allows researchers to accurately track the drug’s metabolic pathways and interactions. It is particularly valuable in pharmaceutical research for understanding drug metabolism, improving drug design, and optimizing dosing strategies, with applications in both medicinal and organic chemistry.


Catalog Number R042068
CAS Number NA
Synonyms

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

Molecular Formula C₃₃H₂₈D₅CaFN₂O₆
Purity ≥95%
Storage -20°C
IUPAC Name (3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
InChI InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1
InChIKey SOZOATLLFFVAPM-KAYWLYCHSA-N
SMILES CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O

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