3,7-Diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine
[CAS# 96865-92-8]

Identification

• Name: 3,7-Diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine
• Synonyms: N-(2-Aminoethyl)-2-[4-(2,6-Diketo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Acetamide; N-(2-Aminoethyl)-2-[4-(2,6-Dioxo-1,3-Dipropyl-7H-Purin-8-Yl)Phenoxy]Ethanamide; 8-(4-(((2-(4-Aminophenylacetylamino)Ethyl)Carbonyl)Methyl)Oxy)Phenyl-1,3-Dipropylxanthine
• Molecular Formula: C₂₁H₂₈N₆O₄
• Molecular Weight: 428.49
• CAS Registry Number: 96865-92-8
• SMILES: C3=C(C1=NC2=C([NH]1)C(N(CCC)C(N2CCC)=O)=O)C=CC(=C3)OCC(NCCN)=O
• InChI: 1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
• InChIKey: FIQGIOAELHTLHM-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)