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Chemical structure of (Rac)-3′-Hydroxy simvastatin

GC60410

(Rac)-3′-Hydroxy simvastatin

Also known as [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate

(Rac)-3′-Hydroxy simvastatin is a metabolite of Simvastatin

ChemicalCAS126313-98-2MW434.57FormulaC25H38O6
CAS number
126313-98-2
Molecular weight
434.57
Formula
C25H38O6
InChIKey
MTOKLGKFIIZWRP-UHFFFAOYSA-N
Catalogue number
GC60410
Brand
GLPBIO
Computed properties PubChem CID 74603305 · XLogP 3.5 · TPSA 93.1 Ų · H-bond donors 2
XLogP
3.5
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

SMILES CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)(C)C(C)O

Computed descriptors from PubChem (CID 74603305), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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