Simvastatin
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- structure.search.product.name Simvastatin
- Product Code: DRE-C16970100
- CAS Number: 79902-63-9
- Brand: Dr. Ehrenstorfer
Product Overview
Product Code
DRE-C16970100
CAS Number
Product Format
Neat
Molecular Formula
C25 H38 O5
Molecular Weight
418.57
Product Categories
Dr. Ehrenstorfer, Cardiac drugs and beta blockers, Cardiac drugs and beta blockers
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Simvastatin
CAS Number
79902-63-9
Molecular Formula
C25 H38 O5
Molecular Weight
418.57
Accurate Mass
418.2719
SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
InChI
InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
IUPAC
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Format
Neat