Stacofylline
[CAS# 98833-92-2]

Identification

• Name: Stacofylline
• Synonyms: N,N-Diethyl-4-[3-(1,3,7-Trimethyl-2,6-Dioxo-Purin-8-Yl)Propyl]Piperazine-1-Carboxamide Hydrochloride; N,N-Diethyl-4-[3-(1,3,7-Trimethyl-2,6-Dioxo-8-Purinyl)Propyl]-1-Piperazinecarboxamide Hydrochloride; 4-[3-(2,6-Diketo-1,3,7-Trimethyl-Purin-8-Yl)Propyl]-N,
• Molecular Formula: C₂₀H₃₄ClN₇O₃
• Molecular Weight: 455.99
• CAS Registry Number: 98833-92-2
• SMILES: [H+].C(C1=NC2=C([N]1C)C(=O)N(C(=O)N2C)C)CCN3CCN(C(=O)N(CC)CC)CC3.[Cl-]
• InChI: 1S/C20H33N7O3.ClH/c1-6-26(7-2)20(30)27-13-11-25(12-14-27)10-8-9-15-21-17-16(22(15)3)18(28)24(5)19(29)23(17)4;/h6-14H2,1-5H3;1H
• InChIKey: GVHZRDKDUVIRNY-UHFFFAOYSA-N

Properties

• Boiling point: 630°C at 760 mmHg (Cal.)
• Flash point: 334.8°C (Cal.)