7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-8-(2-Methylmorpholino)Theophyline
[CAS# 62402-02-2]

Identification

• Name: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-8-(2-Methylmorpholino)Theophyline
• Synonyms: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-8-(2-Methylmorpholin-4-Yl)Purine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-1,3-Dimethyl-8-(2-Methyl-4-Morpholinyl)Purine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-8-(2-Methylmorpholin-4-Yl)Xanthine
• Molecular Formula: C₂₃H₃₂N₆O₆
• Molecular Weight: 488.54
• CAS Registry Number: 62402-02-2
• SMILES: C1=C(O)C(=CC=C1C(O)CNCCC[N]3C2=C(N(C(=O)N(C2=O)C)C)N=C3N4CC(OCC4)C)O
• InChI: 1S/C23H32N6O6/c1-14-13-28(9-10-35-14)22-25-20-19(21(33)27(3)23(34)26(20)2)29(22)8-4-7-24-12-18(32)15-5-6-16(30)17(31)11-15/h5-6,11,14,18,24,30-32H,4,7-10,12-13H2,1-3H3
• InChIKey: HCWKXSUBVVTQEX-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 770.567°C at 760 mmHg (Cal.)
• Flash point: 419.824°C (Cal.)