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Simvastatin

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Simvastatin / CAS : 79902-63-9

Appearance White crystalline powder, odorless. UN 3077
HS 29329990 DG Class 9
Synonyms (1S,3R,7S,8S,8Ar)-1,2,3,7,8,8A-Hexahydro-3,7-Dimethyl-8-[2-[(2R,4R)-Tetrahydro-4-Hydroxy-6-Oxo-2H-Pyran-2-Yl]Ethyl]-1-Naphthalenyl 2,2-Dimethyl-Butanoate; Zocor; Synvinolin; Sinvacor; Denan; Lipex; Lodales; Simvastatine; Cholestat; Colemin; Simovil; Medipo; Pantok; Simvastatina; Simvastatinum
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Properties

Summary

Formula
C25H38O5
Molecular Mass
418.56600
Exact Mass
418.27200
PSA
72.83000
Logp
4.58560
IUPAC
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SMILES
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Circulatory System Drugs

Chemical and Physical Properties

Melting Point
139 °C
Density
1.11 g/cm3
Boiling Point
564.9ºC
Flash Point
184.8ºC
Appearance
White crystalline powder, odorless.
Acidity and Basicity
neutral

Export information

HS Code
29329990
Export Rebate
13%
UN No.
3077
DG-Class
9
Risk Code
R36/37/38
Safety Label
Xi

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