(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
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- structure.search.product.name (3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
- Product Code: TRC-A791770
- CAS Number: 472967-95-6
- Brand: TRC
Product Overview
Product Code
TRC-A791770
CAS Number
Product Format
Neat
Molecular Formula
C40 H47 F N2 O5
Molecular Weight
654.81
Product Categories
TRC - Toronto Research Chemicals, Impurity Reference Materials
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
(3S,5S)-Atorvastatin Acetonide tert-Butyl Ester
CAS Number
472967-95-6
Molecular Formula
C40 H47 F N2 O5
Molecular Weight
654.81
Accurate Mass
654.3469
SMILES
CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@H]5C[C@@H](CC(=O)OC(C)(C)C)OC(C)(C)O5
InChI
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m0/s1
IUPAC
tert-butyl 2-[(4S,6S)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
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