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Chemical structure of Atorvastatin acetonide tert-butyl ester

GC63818

Atorvastatin acetonide tert-butyl ester

Also known as tert-butyl 2-[(4R,6R)-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

Atorvastatin acetonide tert-butyl ester is a useful pharmaceutical intermediate in the preparation of Atorvastatin salts

ChemicalCAS125971-95-1MW654.81FormulaC40H47FN2O5
CAS number
125971-95-1
Molecular weight
654.81
Formula
C40H47FN2O5
Solubility
DMSO ： 125 mg/mL (190·90 mM; Need ultrasonic)
InChIKey
NPPZOMYSGNZDKY-ROJLCIKYSA-N
Catalogue number
GC63818
Brand
GLPBIO
Computed properties PubChem CID 10168503 · XLogP 7.8 · TPSA 78.8 Ų · H-bond donors 1
XLogP
7.8
TPSA
78.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
48

SMILES CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Computed descriptors from PubChem (CID 10168503), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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