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4-Hydroxy Atorvastatin-d5 Calcium Salt
For research use only. Not for therapeutic Use.
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 |