5-(4-Fluorophenyl)-1-{2-[(2R,4R)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-N-(2-Hydroxyphenyl)-2-Isopropyl-4-Phenyl-1H-Pyrrole-3-Carboxamide
[CAS# 163217-74-1]

Identification

• Name: 5-(4-Fluorophenyl)-1-{2-[(2R,4R)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-N-(2-Hydroxyphenyl)-2-Isopropyl-4-Phenyl-1H-Pyrrole-3-Carboxamide
• Synonyms: 2-Hydroxy Atorvastatin Lactone
• Molecular Formula: C₃₃H₃₃FN₂O₅
• Molecular Weight: 556.62
• CAS Registry Number: 163217-74-1
• SMILES: Fc1ccc(cc1)c4n(c(c(C(=O)Nc2ccccc2O)c4c3ccccc3)C(C)C)CC[C@H]5OC(=O)C[C@H](O)C5
• InChI: 1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1
• InChIKey: MNECBMZJZFGTIK-JWQCQUIFSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 694.702°C at 760 mmHg (Cal.)
• Flash point: 373.942°C (Cal.)
• Refractive index: 1.626 (Cal.)