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Chemical structure of o-Hydroxyatorvastatin lactone

GC60474

o-Hydroxyatorvastatin lactone

Also listed as 2-Hydroxy atorvastatin lactone

2-Hydroxy atorvastatin lactone is a metabolite of Atorvastatin

ChemicalCAS163217-74-1MW556.62FormulaC33H33FN2O5
CAS number
163217-74-1
Molecular weight
556.62
Formula
C33H33FN2O5
InChIKey
MNECBMZJZFGTIK-JWQCQUIFSA-N
Catalogue number
GC60474
Brand
GLPBIO
Computed properties PubChem CID 10650434 · XLogP 5.4 · TPSA 101 Ų · H-bond donors 3
XLogP
5.4
TPSA
101 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
41

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=C5O

Computed descriptors from PubChem (CID 10650434), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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