Atorvastatin Cyclic 1,3-Oxazine (Isopropyl) Methyl Ester Impurity

Ref. TR-A791828

Product Information

• Name: Atorvastatin Cyclic 1,3-Oxazine (Isopropyl) Methyl Ester Impurity
• Synonyms: Methyl 4-(7-(4-Fluorophenyl)-7-hydroxy-1b-isopropyl-7a-phenyl-1a-(phenylcarbamoyl)hexahydro-1aH-oxireno[2',3':3,4]pyrrolo[2,1-b][1,3]oxazin-3-yl)-3-hydroxybutanoate
• Brand: TRC
• Description: Applications Atorvastatin Cyclic (Isopropyl) Methyl Ester Impurity is an intermediate in synthesizing Atorvastatin Cyclic Sodium Salt (Isopropyl) Impurity (A791825), a photodegadation product of Atorvastatin (a cyclic impurity of Atorvastatin).References Roger, D., et al.: Clin. Exp. Dermatol., 19, 88 (1994); Cosa, G., et al.: Photochem. Photobiol., 80, 159 (2004), Kerwin, B., et al.: J. Pharm. Sci., 96, 1468 (2007)

Chemical properties

• Molecular weight: 604.665
• Formula: C₃₄H₃₇FN₂O₇
• Color/Form: Neat
• InChI: InChI=1S/C34H37FN2O7/c1-22(2)34-32(30(40)36-26-12-8-5-9-13-26)31(44-32,23-10-6-4-7-11-23)33(41,24-14-16-25(35)17-15-24)37(34)19-18-28(43-34)20-27(38)21-29(39)42-3/h4-17,22,27-28,38,41H,18-21H2,1-3H3,(H,36,40)
• InChI key: InChIKey=HCBSKIBLQIBZPO-UHFFFAOYSA-N
• SMILES: COC(=O)CC(O)CC1CCN2C(O)(c3ccc(F)cc3)C3(c4ccccc4)OC3(C(=O)Nc3ccccc3)C2(C(C)C)O1