8-(Benzylamino)-7-[2-Hydroxy-3-(2-Hydroxyethyl-Methylamino)Propyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
[CAS# 78721-06-9]

Identification

• Name: 8-(Benzylamino)-7-[2-Hydroxy-3-(2-Hydroxyethyl-Methylamino)Propyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
• Synonyms: 8-(Benzylamino)-7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 8-(Benzylamino)-7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-Xanthine Hydrochloride; 7-[2-Hydroxy-3-(2-Hydroxyethyl-Methyl-Amino)Propyl]-1,3-Dimethyl-8-(Phenylmethylamino)Purine-2,6-Dione Hydrochloride
• Molecular Formula: C₂₀H₂₉ClN₆O₄
• Molecular Weight: 452.94
• CAS Registry Number: 78721-06-9
• SMILES: [H+].C3=C(CNC1=NC2=C([N]1CC(O)CN(CCO)C)C(=O)N(C(=O)N2C)C)C=CC=C3.[Cl-]
• InChI: 1S/C20H28N6O4.ClH/c1-23(9-10-27)12-15(28)13-26-16-17(24(2)20(30)25(3)18(16)29)22-19(26)21-11-14-7-5-4-6-8-14;/h4-8,15,27-28H,9-13H2,1-3H3,(H,21,22);1H
• InChIKey: IMEYVTYGZBACNY-UHFFFAOYSA-N

Properties

• Boiling point: 667.6°C at 760 mmHg (Cal.)
• Flash point: 357.6°C (Cal.)