![(4S,6S)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester structure, CAS 472967-95-6](/structures/210000/180213_1_472967_95_6.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 472967-95-6 |
| Catalog No. | 2A-3179450 |
| Chinese Name | (3S,5S)-阿托伐他汀乙酰丙酮叔丁基酯 |
| Synonyms | Atorvastatin acetonide; ATV-1 acetonide |
| Molecular Formula | C40H47FN2O5 |
| Molecular Weight | 654.81 |
| Density | 1.15g/cm3 |
| Boiling Point | 678.035ºC at 760 mmHg |
| Appearance | Light yellow solid |
| PubChem ID | 16658633 |
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1 |
| InChI | InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m0/s1 |
| InChI Key | NPPZOMYSGNZDKY-ACHIHNKUSA-N |
| Transport Info | Product name: (3S, 5S)-Atorvastatin acetylacetonate tert-butyl ester |
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