ChemicalBook--->CAS DataBase List--->1429636-74-7

1429636-74-7

1429636-74-7 Structure

1429636-74-7 Structure
IdentificationBack Directory
[Name]

Doxofylline Impurity 1
[CAS]

1429636-74-7
[Synonyms]

Doxofylline-2
Doxofylline USP RC B
Doxofylline Impurity 1
Theophylline impurities825
Doxofylline USP Related Compound B
3-(1,3-dioxolan-2-ylmethyl)-N-methyl-5-(methylamino)imidazole-4-carboxamide
1H-Imidazole-5-carboxamide, 1-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-(methylamino)-
1-((1,3-dioxolan-2-yl)methyl)-N-methyl-4-(methylamino)-1H- imidazole-5-carboxamide
[Molecular Formula]

C10H16N4O3
[MDL Number]

MFCD34597761
[MOL File]

1429636-74-7.mol
[Molecular Weight]

240.26
Chemical PropertiesBack Directory
[Melting point ]

156 - 159°C
[Boiling point ]

534.4±45.0 °C(Predicted)
[density ]

1.41±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

15.03±0.46(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C10H16N4O3/c1-11-9-8(10(15)12-2)14(6-13-9)5-7-16-3-4-17-7/h6-7,11H,3-5H2,1-2H3,(H,12,15)
[InChIKey]

NZNGFFZEKHUMKT-UHFFFAOYSA-N
[SMILES]

C1N(CC2OCCO2)C(C(NC)=O)=C(NC)N=1
Hazard InformationBack Directory
[Uses]

1-(1,3-Dioxolan-2-ylmethyl)-N-methyl-4-(methylamino)-1H-imidazole-5-carboxamide is an impurity of Theophyline (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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