(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
Product Code
MM0158.01
CAS Number
EP Description
Simvastatin Impurity A as Sodium Salt
Product Format
Neat
Molecular Formula
C25 H39 O6 . Na
Molecular Weight
458.56
API Family
SimvastatinProduct Categories
Cardiac drugs and beta blockers, Statins and related drugs, Mikromol, Impurity Reference Materials
Product Type
ImpurityAlternate CAS Number
Drug Type
Antihyperlipidemics
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
(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
CAS Number
101314-97-0
Molecular Formula
C25 H39 O6 . Na
Molecular Weight
458.56
Accurate Mass
458.2644
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
InChI
/m0./s1, InChI=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, /h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29), /q, +1/p-1/t15-,16-,18+,19+,20-,21-,23-
IUPAC
sodium;(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
Alternate CAS Number
Free acid: 121009-77-6
Storage & Transport Information
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
GERMANY
Tariff Code
29322090
Product Attributes
Product Type
Impurity
Product Format
Neat
Impurity Type
Degradation Product; By-Product
API Family
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