3-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Propyl-Ethoxy-Phosphinic Acid
[CAS# 113811-51-1]

Identification

• Name: 3-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Propyl-Ethoxy-Phosphinic Acid
• Synonyms: 3-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Propyl-Ethoxy-Phosphinic Acid; 3-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Propyl-Ethoxyphosphinic Acid; 3-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Phenyl]Carbonylamino]Propyl-Ethoxy-Phosphinic Acid
• Molecular Formula: C₂₀H₂₇N₈O₄P
• Molecular Weight: 474.46
• CAS Registry Number: 113811-51-1
• SMILES: C3=C(N(CC2=CN=C1N=C(N=C(N)C1=N2)N)C)C=CC(=C3)C(=O)NCCC[P](OCC)(O)=O
• InChI: 1S/C20H27N8O4P/c1-3-32-33(30,31)10-4-9-23-19(29)13-5-7-15(8-6-13)28(2)12-14-11-24-18-16(25-14)17(21)26-20(22)27-18/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,29)(H,30,31)(H4,21,22,24,26,27)
• InChIKey: BDXXPVVJVVLLLJ-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)