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Product Overview

Product Code

TRC-S485000

CAS Number

79902-63-9

Product Format

Neat

Molecular Formula

C25 H38 O5

Molecular Weight

418.57

API Family

Simvastatin

Product Categories

TRC, Additional Neuro Products, Pain and Inflammation, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , API Reference Standards & Research Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical 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

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Simvastatin

Purity

>95% (HPLC)

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Product Overview

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Simvastatin

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