148146-51-4

Name Atorvastatin Related Compound D (20 mg) (Epoxide impurity, or 3-(4-Fluorobenzoyl)-2-isobutyryl-3-phenyl-oxirane-2- carboxylic acid phenylamide)
CAS 148146-51-4
Molecular Formula C26H22FNO4
MDL Number MFCD18379184
Molecular Weight 431.46
MOL File 148146-51-4.mol

Chemical Properties

Melting point  179-182°C
Boiling point  646.6±55.0 °C(Predicted)
density  1.308±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Acetonitrile (Slightly), Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
form  neat
pka 13.66±0.70(Predicted)
color  White to Off-White
BRN  6162108
Major Application pharmaceutical (small molecule)
InChI 1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)
InChIKey AAEQXEDPVFIFDK-UHFFFAOYSA-N
SMILES Fc1ccc(cc1)C(=O)C3(OC3(C(=O)Nc4ccccc4)C(=O)C(C)C)c2ccccc2

Safety Data

WGK Germany  WGK 3
HS Code  2932996560
Storage Class 11 - Combustible Solids

Hazard Information

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