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Chemical structure of Atorvastatin lactone

GC42868

Atorvastatin lactone

Also known as 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide

Atorvastatin lactone is a prodrug form of atorvastatin, an HMG-CoA reductase inhibitor used to lower blood cholesterol levels

ChemicalCAS125995-03-1MW540.6FormulaC33H33FN2O4
CAS number
125995-03-1
Molecular weight
540.6
Formula
C33H33FN2O4
Solubility
DMF： 25 mg/ml,DMF：PBS (pH 7·2)(1：3)： 0·25 mg/ml,DMSO： 15 mg/ml,Ethanol： 10 mg/ml
InChIKey
OUCSEDFVYPBLLF-KAYWLYCHSA-N
Catalogue number
GC42868
Brand
GLPBIO
Computed properties PubChem CID 6483036 · XLogP 5.7 · TPSA 80.6 Ų · H-bond donors 2
XLogP
5.7
TPSA
80.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
40

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

Computed descriptors from PubChem (CID 6483036), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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