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Chemical structure of Atorvastatin ethyl ester

GC75191

Atorvastatin ethyl ester

Also known as ethyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Atorvastatin ethyl ester is a derivative of Atorvastatin and displays strong inhibition of the 9-cis-RA-induced Gal4 reporter activity

ChemicalCAS1146977-93-6MW586.69FormulaC35H39FN2O5
CAS number
1146977-93-6
Molecular weight
586.69
Formula
C35H39FN2O5
Solubility
DMSO： 100 mg/mL (170·45 mM; Need ultrasonic)
InChIKey
CXXBPVDOSCOVJU-FQLXRVMXSA-N
Catalogue number
GC75191
Brand
GLPBIO
Computed properties PubChem CID 57892870 · XLogP 5.7 · TPSA 101 Ų · H-bond donors 3
XLogP
5.7
TPSA
101 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
43

SMILES CCOC(=O)C[C@@H](C[C@@H](CCN1C(=C(C(=C1C(C)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F)O)O

Computed descriptors from PubChem (CID 57892870), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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