125971-96-2

Name 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
CAS 125971-96-2
EINECS(EC#) 425-850-3
Molecular Formula C26H24FNO3
MDL Number MFCD04117986
Molecular Weight 417.47
MOL File 125971-96-2.mol

Chemical Properties

Appearance White to Off-White Solid
Melting point  196-1980C
Boiling point  631.4±55.0 °C(Predicted)
density  1.211
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly, Heated), DMSO (Slightly, Sonicated), Ethyl Acetate (Slightly)
form  Solid
pka 11.52±0.59(Predicted)
color  White to Off-White
PH 6.49 at 25℃ and 13.64g/L
Usage An Atorvastatin intermediate. Atorvastatin is a selective, competitive HMG-CoA reductase inhibitor. The only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia
InChI InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
InChIKey SNPBHOICIJUUFB-UHFFFAOYSA-N
SMILES C(NC1=CC=CC=C1)(=O)C(C(C1=CC=CC=C1)C(C1=CC=C(F)C=C1)=O)C(=O)C(C)C
CAS DataBase Reference 125971-96-2(CAS DataBase Reference)

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