O-Methyl Atorvastatin Calcium Salt

Analyte Name

(3R,5R)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoic Acid Calcium Salt (3-O-Methylatorvastatin Calcium Salt)

CAS Number

887196-29-4

Molecular Formula

2 C34 H36 F N2 O5 . Ca

Molecular Weight

1183.39

Accurate Mass

1182.4842

Flash Point

4

SMILES

[Ca+2].CO[C@H](C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c3ccccc3)c1c4ccc(F)cc4)CC(=O)[O-].CO[C@H](C[C@H](O)CCn5c(C(C)C)c(C(=O)Nc6ccccc6)c(c7ccccc7)c5c8ccc(F)cc8)CC(=O)[O-]

InChI

InChI=1S/2C34H37FN2O5.Ca/c2*1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(42-3)21-29(39)40, /m11./s1, /h2*4-17,22,27-28,38H,18-21H2,1-3H3,(H,36,41)(H,39,40), /q, , +2/p-2/t2*27-,28-

IUPAC

calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate

Alternate CAS Number

Free base: 887324-53-0

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Atorvastatin Calcium Salt; Atorvastatin; Atorvastatin Calcium Trihydrate

Purity

>95% (HPLC)