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Product Overview

Product Code

TRC-H953510

CAS Number

1283861-33-5

Product Format

Neat

Molecular Formula

C25 H38 O6

Molecular Weight

434.57

API Family

Simvastatin

Product Categories

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

Product Type

Impurity, Metabolite

Drug Type

Cardiac Drugs

Documentation

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Product Information

Chemical Data

Analyte Name

3''-Hydroxy Simvastatin

CAS Number

1283861-33-5

Molecular Formula

C25 H38 O6

Molecular Weight

434.57

Accurate Mass

434.2668

SMILES

CC(O)C(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/C25H38O6/c1-14-10-17-7-6-15(2)20(9-8-19-12-18(27)13-22(28)30-19)23(17)21(11-14)31-24(29)25(4,5)16(3)26/h6-7,10,14-16,18-21,23,26-27H,8-9,11-13H2,1-5H3/t14-,15-,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] 3-hydroxy-2,2-dimethylbutanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Simvastatin

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Chemical Data

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3”-Hydroxy Simvastatin

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