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463962-56-3

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463962-56-3 Structure

463962-56-3 Structure
IdentificationBack Directory
[Name]

Simvastatin Acyl-b-D-glucuronide
[CAS]

463962-56-3
[Synonyms]

Simvastatin Acyl--D-glucuronide
Simvastatin Acyl-β-D-glucuronide
Simvastatin Acyl-b-D-glucuronide
1-[(R,dR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-,d-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate] -D-Glucopyranuronic Acid
1-[(βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-DiMethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-diMethyl-1-naphthaleneheptanoate] β-D-Glucopyranuronic Acid
1-[(bR,dR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate] b-D-Glucopyranuronic Acid
β-D-Glucopyranuronic acid, 1-[(βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate]
[Molecular Formula]

C31H48O12
[MDL Number]

MFCD18252499
[MOL File]

463962-56-3.mol
[Molecular Weight]

612.71
Chemical PropertiesBack Directory
[Melting point ]

90-95?C
[Boiling point ]

800.055±65.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.318±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Methanol (Slightly)
[form ]

Solid
[pka]

2.677±0.70(predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A metabolite of Simvastatin
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