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Product Overview

Product Code

TRC-T343870

CAS Number

5614-53-9

Product Format

Neat

Molecular Formula

C9H10N4O3

Molecular Weight

222.2

API Family

Theophylline

Product Categories

Cardiac drugs and beta blockers, TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Theophylline-7-acetaldehyde

CAS Number

5614-53-9

Molecular Formula

C9H10N4O3

Molecular Weight

222.2

Accurate Mass

222.0753

SMILES

>>O=C1N(C)C(N(C)C2=C1N(CC(O)O)C=N2)=O.O=CCN3C=NC(N(C)C(N4C)=O)=C3C4=O

InChI

InChI=1S/C9H10N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h4-5H,3H2,1-2H3

IUPAC

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Theophylline

Purity

>95% (HPLC)

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Chemical Data

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Theophylline-7-acetaldehyde

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