CAS 265989-38-6

1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

Description:

1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-, is a complex organic compound characterized by its multi-functional structure, which includes a dioxane ring, an acetic acid moiety, and various aromatic and aliphatic substituents. This compound features a fluorophenyl group, which may impart specific electronic properties, and a pyrrole ring that contributes to its potential biological activity. The presence of hydroxyl and amino groups suggests possible interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (4R,6R) designation suggests specific spatial arrangements that could influence the compound's reactivity and interactions. Its ester functionality may also affect solubility and stability. Overall, this compound's intricate structure suggests potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.

Formula: C₄₀H₄₂D₅FN₂O₆

InChI: InChI=1S/C40H47FN2O6/c1-25(2)36-35(38(46)42-29-17-19-30(44)20-18-29)34(26-11-9-8-10-12-26)37(27-13-15-28(41)16-14-27)43(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32,44H,21-24H2,1-7H3,(H,42,46)/t31-,32-/m1/s1/i8D,9D,10D,11D,12D

InChI key: InChIKey=AQMFQOCFGPMVGX-DHJJOHBTSA-N

SMILES: C(NC1=CC=C(O)C=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=C(C(=C(C(=C5[2H])[2H])[2H])[2H])[2H]

Synonyms:

• 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-(phenyl-d5)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-

4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester

Controlled Product

CAS: 265989-38-6

Formula: C₄₀H₄₂D₅FN₂O₆

Color and Shape: Neat

Molecular weight: 675.84

Ref: TR-F595718