ChemicalBook--->CAS DataBase List--->145576-25-6

145576-25-6

145576-25-6 Structure

145576-25-6 Structure
IdentificationBack Directory
[Name]

4'-Acetyl Simvastatin
[CAS]

145576-25-6
[Synonyms]

ACETYLSIMVASTATIN
SiMvastatin Acetate
4'-Acetyl Simvastatin
SiMvastatin IMpurity-B
Simvastatin EP Impurity B
Simvastatin Impurity B(EP)
Simvastatin Impurity 2(EP-B)
(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(
SiMvastatin IMpurity B (Acetyl SiMvastatin)
Simvastatin EP Impurity B (Acetyl Simvastatin)
Simvastatin Impurity 2(Simvastatin EP Impurity B)
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-acetoxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
(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
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
Butanoic acid,2,2-dimethyl-,(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-naphthalenylester
[Molecular Formula]

C27H40O6
[MDL Number]

MFCD09038912
[MOL File]

145576-25-6.mol
[Molecular Weight]

460.6
Chemical PropertiesBack Directory
[Melting point ]

115-118°C
[Boiling point ]

575.2±50.0 °C(Predicted)
[density ]

1.11±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan
[form ]

Solid
[color ]

White to Off-White
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

OHVWRJDVJRNCPE-BIKFJBPRSA-N
[SMILES]

O1[C@@H](C[C@H](CC1=O)OC(=O)C)CC[C@@H]2[C@H]3[C@H](C[C@H](C=C3C=C[C@@H]2C)C)OC(=O)C(CC)(C)C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

WGK 3
[HS Code ]

2932206000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Simvastatin (S485000) impurity.
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