6(S)-HydroperoxySimvastatin
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6(S)-HydroperoxySimvastatin
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CAS No:
149949-01-9
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Formula:
C25H38O7
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Chemical Name:
6(S)-HydroperoxySimvastatin
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Synonyms:
2,2-DiMethylbutanoic Acid (1S,6S,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl Ester;6(S)-Hydroperoxy SiMvastatin;Simvastatin Impurity 11;Butanoic acid, 2,2-dimethyl-, (1S,6S,7R,8S,8aR)-1,2,6,7,8,8a-hexahydro-6-hydroperoxy-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester
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CAS No:
6(S)-HydroperoxySimvastatin Use and Manufacturing
6(S)-Hydroperoxy Simvastatin is the oxidative degradation product of Simvastatin (S485000).
Computed Properties
Molecular Weight:450.6
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:450.26175355
Monoisotopic Mass:450.26175355
Topological Polar Surface Area:102
Heavy Atom Count:32
Complexity:768
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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