Drotavarine-Theophylline-7-Acetate
[CAS# 61954-97-0]

Identification

• Name: Drotavarine-Theophylline-7-Acetate
• Synonyms: 1-[(3,4-Diethoxyphenyl)Methyl]-6,7-Diethoxy-3,4-Dihydroisoquinoline; 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Acetic Acid; 1-[(3,4-Diethoxyphenyl)Methyl]-6,7-Diethoxy-3,4-Dihydroisoquinoline; 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Acetic Acid; 1-(3,4-Diethoxybenzyl)-6,7-Diethoxy-3,4-Dihydroisoquinoline; 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Acetic Acid
• Molecular Formula: C₃₃H₄₁N₅O₈
• Molecular Weight: 635.72
• CAS Registry Number: 61954-97-0
• SMILES: C1=NC2=C([N]1CC(=O)O)C(=O)N(C(=O)N2C)C.C3=C4C(=CC(=C3OCC)OCC)CCN=C4CC5=CC(=C(OCC)C=C5)OCC
• InChI: 1S/C24H31NO4.C9H10N4O4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h9-10,14-16H,5-8,11-13H2,1-4H3;4H,3H2,1-2H3,(H,14,15)
• InChIKey: OUKQYSCCWVCDKU-UHFFFAOYSA-N

Properties

• Boiling point: 527°C at 760 mmHg (Cal.)
• Flash point: 217.7°C (Cal.)