| Description |
4-Hydroxy Atorvastatin-[d5] Calcium Salt is the labelled analogue of 4-Hydroxy Atorvastatin Calcium Salt, which is a metabolite of Atorvastatin. Atorvastatin is a selective, competitive inhibitor of HMG-CoA reductase. |
| Synonyms |
4-Hydroxy Atorvastatin D5 Calcium Salt; di((βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrole-1-heptanoic Acid) Calcium Salt; p-hydroxy Atorvastatin-(phenyl-d5) Calcium salt; 4-hydroxy Atorvastatin-(phenyl-d5) Calcium salt; para-hydroxy Atorvastatin-(phenyl-d5) Calcium salt; di(4-Hydroxy Atorvastatin-d5) Calcium Salt |
| IUPAC Name |
calcium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(phenyl-d5)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate |
| Related CAS |
265989-44-4 (unlabelled)
|
| Canonical SMILES |
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O.[Ca] |
| InChI |
InChI=1S/2C33H35FN2O6.Ca/c2*1-20(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;/h2*3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/t2*26-,27-;/m11./s1/i2*3D,4D,5D,6D,7D; |
| InChI Key |
APQVTJAELKGMDT-UOXTVLSDSA-N |
| Melting Point |
174-179°C |
| Purity |
≥93%; ≥99% atom D |
| Solubility |
Soluble in DMSO (Slightly, Sonicated), Methanol (Slightly) |
| Appearance |
Off-white to Pale Beige Solid |
| Storage |
Store at -20°C under inert atmosphere |
![4-Hydroxy Atorvastatin-[d5] Calcium Salt](https://resource.bocsci.com/structure/265989-45-5.gif)
