109403-76-1

Name Doxofylline Impurity 11
CAS 109403-76-1
Molecular Formula C15H16N8O4
Molecular Weight 372.34
MOL File 109403-76-1.mol
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Chemical Properties

Melting point  325 °C
Boiling point  725.2±70.0 °C(Predicted)
density  1.69±0.1 g/cm3(Predicted)
pka 0.25±0.70(Predicted)
InChI InChI=1S/C15H16N8O4/c1-18-10-8(12(24)20(3)14(18)26)22(5-16-10)7-23-6-17-11-9(23)13(25)21(4)15(27)19(11)2/h5-6H,7H2,1-4H3
InChIKey CAXWOQDAIYQFFX-UHFFFAOYSA-N
SMILES C(N1C2=C(N(C)C(=O)N(C)C2=O)N=C1)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

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