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2-Hydroxy Atorvastatin-d5 Disodium Salt
For research use only. Not for therapeutic Use.
2-Hydroxy Atorvastatin-d5 Disodium Salt is a deuterated form of 2-hydroxy atorvastatin, featuring five deuterium atoms incorporated into its molecular structure. This high-purity isotopically labeled compound is essential for research in cardiovascular pharmacology, drug metabolism, and pharmacokinetics. 2-Hydroxy Atorvastatin-d5 Disodium Salt is particularly valuable for studying the metabolic pathways, pharmacokinetics, and efficacy of atorvastatin, a widely used statin for lowering cholesterol levels and reducing the risk of cardiovascular disease. The 2-hydroxy metabolite is a key active form of atorvastatin, and the deuterium labeling allows for precise tracking and quantification in biological systems using mass spectrometry. This enhances the accuracy of studies on drug absorption, distribution, metabolism, and excretion. This compound is a critical tool for researchers focused on optimizing statin therapies, understanding the metabolic fate of atorvastatin, and investigating drug-drug interactions in various cardiovascular conditions, providing reliable and consistent results in diverse experimental settings.
Catalog Number | R003294 |
CAS Number | 1276537-19-9 |
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 Disodium Salt; BMS 243887-01; PD 152873; o-Hydroxyatorvastatin Disodium Salt; |
Molecular Formula | C33H33FN2Na2O6 |
Purity | ≥95% |
Storage | Store at -20°C |
IUPAC Name | disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-oxidophenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate |
InChI | InChI=1S/C33H35FN2O6.2Na/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*+1/p-2/t24-,25-;;/m1../s1/i3D,4D,5D,8D,9D;; |
InChIKey | KNVKONHBFPQVPI-SZNAXHTISA-L |
SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3[O-])C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C4=CC=C(C=C4)F)[2H])[2H].[Na+].[Na+] |