(8-(1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl)amino)-3,7-dihydro-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
[CAS# 114606-56-3]

Identification

• Name: (8-(1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl)amino)-3,7-dihydro-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
• Synonyms: 8-[[(1R)-1-(3,4-Dimethoxyphenyl)-2-Hydroxy-Ethyl]Amino]-7-(2-Methoxyethyl)-1,3-Dimethyl-Purine-2,6-Dione; 8-[[(1R)-1-(3,4-Dimethoxyphenyl)-2-Hydroxy-Ethyl]Amino]-7-(2-Methoxyethyl)-1,3-Dimethyl-Xanthine; (8-(1-(3,4-Dimethoxyphenyl)-2-Hydroxyethyl)Amino)-3,7-Dihydro-7-(2-Methoxyethyl)-1,3-Dimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₂₀H₂₇N₅O₆
• Molecular Weight: 433.46
• CAS Registry Number: 114606-56-3
• SMILES: [C@@H](NC1=NC2=C([N]1CCOC)C(=O)N(C(=O)N2C)C)(C3=CC=C(OC)C(=C3)OC)CO
• InChI: 1S/C20H27N5O6/c1-23-17-16(18(27)24(2)20(23)28)25(8-9-29-3)19(22-17)21-13(11-26)12-6-7-14(30-4)15(10-12)31-5/h6-7,10,13,26H,8-9,11H2,1-5H3,(H,21,22)/t13-/m0/s1
• InChIKey: VZLFAVFWNOZVFM-ZDUSSCGKSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 648.69°C at 760 mmHg (Cal.)
• Flash point: 346.115°C (Cal.)