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Atorvastatin Lactone-[d5]

General Information
Catalog: BLP-003359
CAS: 1217749-86-4
Molecular Formula: C33H28D5FN2O4
Molecular Weight: 545.65
Chemical Structure
Atorvastatin Lactone-[d5]
Description Atorvastatin Lactone-[d5] is a labelled intermediate of Atorvastatin which is an inhibitor of MAP kinase and HMG-CoA reductase for the treatment of inflammation.
Synonyms 5-(4-fluorophenyl)-1-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-4-(2H5)phenyl-N-phenyl-2-(propan-2-yl)-1H-pyrrole-3-carboxamide; CS-P-07047; Atorvastatin-d5 Lactone
IUPAC Name 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-ylpyrrole-3-carboxamide
Related CAS 125995-03-1 (unlabelled)
Canonical SMILES CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1/i3D,5D,6D,9D,10D
InChI Key OUCSEDFVYPBLLF-CCJPLZOUSA-N
Melting Point 98-100°C
Purity > 95%
Appearance Light Yellow Solid

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