Analyte Name

4-Defluoro-4-(4-morpholinyl) Atorvastatin Monosodium Salt

Molecular Formula

C37 H42 N3 Na O6

Molecular Weight

647.736

Accurate Mass

647.297

SMILES

CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(cc4)N5CCOCC5)n1CC[C@@H](O)C[C@@H](O)CC(=O)O[Na]

InChI

InChI=1S/C37H43N3O6.Na/c1-25(2)35-34(37(45)38-28-11-7-4-8-12-28)33(26-9-5-3-6-10-26)36(40(35)18-17-30(41)23-31(42)24-32(43)44)27-13-15-29(16-14-27)39-19-21-46-22-20-39;/h3-16,25,30-31,41-42H,17-24H2,1-2H3,(H,38,45)(H,43,44);/q;+1/p-1/t30-,31-;/m1./s1

IUPAC

[(3R,5R)-3,5-dihydroxy-7-[2-(4-morpholin-4-ylphenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]heptanoyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat