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Simvastatin Hydroxy Acid Sodium Salt

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For Research Use Only | Not For Clinical Use
CATAPS101314970
CAS101314-97-0
Structure
SynonymsSimvastatin Imp. A (EP), Simvastatin Imp. A (EP) as Sodium Salt, (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-dihydroxyheptanoic Acid Sodium Salt, Tenivastatin Sodium Salt, Simvastatin Hydroxy Acid Sodium Salt
IUPAC Namesodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Molecular Weight458.56
Molecular FormulaC25H39O6.Na
Canonical SMILES[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H]12
InChIInChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29
Accurate Mass458.2644
FormatNeat
SubcategoryChiral molecules, Statins and related drugs
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