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Product Overview

Product Code

TRC-Q694400

CAS Number

84-31-1

Product Format

Neat

Molecular Formula

C20 H22 N2 O2

Molecular Weight

322.40

API Family

Quinine

Product Categories

TRC, Bioactive small molecules, Impurity Reference Materials , Antimalarial agents

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

Quininone

CAS Number

84-31-1

Molecular Formula

C20 H22 N2 O2

Molecular Weight

322.40

Accurate Mass

322.1681

SMILES

COc1ccc2nccc(C(=O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1

InChI

InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13-,14-,19-/m0/s1

IUPAC

[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

API Family

Quinine

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