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ChemicalBook--->CAS DataBase List--->5614-53-9

5614-53-9

5614-53-9 Structure

5614-53-9 Structure
IdentificationBack Directory
[Name]

Theophylline Impurity 1
[CAS]

5614-53-9
[Synonyms]

Doxofylline-1
Doxofylline Impurity 2
Theophylline Impurity 2
Theophylline Impurity 1
Theophylline acetaldehyde
Theophylline impurities826
Theophylline-7-acetaldehyde
Theophylline/Doxofylline Impurity
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde
7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl) acetaldehyde
[Molecular Formula]

C9H10N4O3
[MOL File]

5614-53-9.mol
[Molecular Weight]

222.2
Chemical PropertiesBack Directory
[Boiling point ]

463.3±51.0 °C(Predicted)
[density ]

1.50±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly, Heated)
[form ]

Solid
[pka]

-0.07±0.70(Predicted)
[color ]

White to Light Beige
Hazard InformationBack Directory
[Uses]

Theophylline-7-acetaldehyde is an impurity of Theophylline (T343850), a xanthine derivative with diuretic, cardiac stimulant and smooth muscle relaxant activities; isomeric with theobromine. Small amounts occur in tea. Bronchodilator.
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