6’-Hydroxymethyl Simvastatin Acid Sodium Salt
Product Code
TRC-H948358
CAS Number
Product Format
Neat
Molecular Formula
C25 H39 O7 . Na
Molecular Weight
474.56
API Family
SimvastatinProduct Categories
TRC, Chiral Molecules , Cardiac drugs and beta blockers, Impurity Reference Materials , Cardiac drugs and beta blockers, Cardiac drugs and beta blockers
Product Type
MetaboliteAlternate CAS Number
Drug Type
Cardiac Drugs
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
6'-Hydroxymethyl Simvastatin Acid Sodium Salt
CAS Number
134452-13-4
Molecular Formula
C25 H39 O7 . Na
Molecular Weight
474.56
Accurate Mass
474.2593
SMILES
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](CO)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H]12
InChI
InChI=1S/C25H40O7.Na/c1-5-25(3,4)24(31)32-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-18(27)12-19(28)13-22(29)30;/h6-7,10,15-16,18-21,23,26-28H,5,8-9,11-14H2,1-4H3,(H,29,30);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
IUPAC
sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-6-(hydroxymethyl)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
Alternate CAS Number
Free acid: 134452-13-4
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite
Product Format
Neat
API Family
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