| Identification | Back 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 Properties | Back 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 Information | Back 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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BOC Sciences
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16314854226 |
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www.bocsci.com |
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