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di(2-Hydroxy Atorvastatin-d5) Calcium Salt
For research use only. Not for therapeutic Use.
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) |
Appearance | Off-White to Pale Beige Solid |
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] |