CAS 947249-30-1

1,1-Dimethylethyl (4R,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-acetate

Description:

1,1-Dimethylethyl (4R,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-acetate, with CAS number 947249-30-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxane, pyrrole, and aromatic rings. This compound exhibits chirality, indicated by its specific stereochemical configuration at the 4R and 6S positions, which can influence its biological activity and interactions. The presence of a fluorophenyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the compound's dioxane moiety may contribute to its solubility and stability in various solvents. Its synthesis and characterization would typically involve advanced organic chemistry techniques, and it may be of interest in research related to drug design or as a potential therapeutic agent. As with many complex organic molecules, understanding its properties requires detailed analysis, including spectroscopic methods and biological assays.

Formula: C₄₀H₄₇FN₂O₅

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: InChIKey=NPPZOMYSGNZDKY-AJQTZOPKSA-N

SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5

Synonyms:

• 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-
• 1,1-Dimethylethyl (4R,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-acetate

(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester

Controlled Product

CAS: 947249-30-1

Formula: C₄₀H₄₇FN₂O₅

Color and Shape: Neat

Molecular weight: 654.81

Ref: TR-A791910