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Product Overview

Product Code

TRC-S485010

CAS Number

476305-24-5

EP Description

Simvastatin Impurity D

Product Format

Neat

Molecular Formula

C50 H76 O10

Molecular Weight

837.13

API Family

Simvastatin

Product Categories

Impurity Reference Materials , TRC, Chiral Molecules , Cardiac drugs and beta blockers, Cardiac drugs and beta blockers, Cardiac drugs and beta blockers

Product Type

Impurity

Drug Type

Cardiac Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

Simvastatin Dimer

CAS Number

476305-24-5

Molecular Formula

C50 H76 O10

Molecular Weight

837.13

Accurate Mass

836.5438

SMILES

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]3C[C@@H](CC[C@H]4[C@@H](C)C=CC5=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@H]45)OC(=O)C3)[C@@H]12

InChI

InChI=1S/C50H76O10/c1-11-49(7,8)47(55)59-41-23-29(3)21-33-15-13-31(5)39(45(33)41)19-17-35(51)25-36(52)26-43(53)58-38-27-37(57-44(54)28-38)18-20-40-32(6)14-16-34-22-30(4)24-42(46(34)40)60-48(56)50(9,10)12-2/h13-16,21-22,29-32,35-42,45-46,51-52H,11-12,17-20,23-28H2,1-10H3/t29-,30-,31-,32-,35+,36+,37+,38+,39-,40-,41-,42-,45-,46-/m0/s1

IUPAC

[(2R,4R)-2-[2-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-oxooxan-4-yl] (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

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Simvastatin

Product Description

Simvastatin Dimer Impurity (Simvastatin EP Impurity D) is an impurity of Simvastatin (Dimer).

References: Wang, L., et al.: J. Pharm. Biomed. Anal., 21, 1243 (2000), Srinivasu, M., et al.: J. Pharm. Biomed. Anal., 29, 715 (2002), Vuletic, M., et al.: J. Pharm. Biomed. Anal., 37, 715

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