463962-56-3
Chemical Structure
Simvastatin Acyl-β-D-glucuronide
- CAS No.: 463962-56-3
- Formula:C31H48O12
- Molecular Weight:612.71
IUPAC Name: (2S,3S,4S,5R,6S)-6-(((3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChIKey: PBLYTKVVBICSHZ-DBGCAFMXSA-N
SMILES: O=C(C(C)(C)CC)O[C@@H](C1)[C@@]([C@H]2CC[C@@H](O)C[C@@H](O)CC(O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]([C@H]3O)C(O)=O)=O)([H])C(C=C[C@@H]2C)=C[C@@H]1C
Biological Activity: Simvastatin Acyl-β-D-glucuronide is a metabolite of Simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1][2].
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Simvastatin Acyl-β-D-glucuronide | Simvastatin Acyl-β-D-glucuronide is a metabolite of Simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM. | |||||||||||||||||||||
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