ACETYLSIMVASTATIN
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ACETYLSIMVASTATIN
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CAS No:
145576-25-6
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Formula:
C27H40O6
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Chemical Name:
ACETYLSIMVASTATIN
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Synonyms:
ACETYLSIMVASTATIN;4'-Acetyl Simvastatin;2,2-DiMethylbutanoic Acid (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-diMethyl-1-naphthalenyl Ester;SiMvastatin Acetate;SiMvastatin IMpurity-B;SiMvastatin IMpurity B (Acetyl SiMvastatin);Simvastatin EP Impurity B;(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
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CAS No:
Description
4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1].
Characteristics
78.9
5.31
1.11±0.1 g/cm3(Predicted)
575.2±50.0 °C(Predicted)
243.2±30.2 °C
1.520
3.1E-13mmHg at 25°C
Computed Properties
Molecular Weight:460.6
XLogP3:5.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:460.28248899
Monoisotopic Mass:460.28248899
Topological Polar Surface Area:78.9
Heavy Atom Count:33
Complexity:809
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes