2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4- Phosphono-Butanoic Acid
[CAS# 106351-98-8]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4- Phosphono-Butanoic Acid
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4-Phosphono-Butanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-4-Phosphonobutanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4-Phosphono-Butyric Acid
• Molecular Formula: C₁₉H₂₃N₈O₆P
• Molecular Weight: 490.41
• CAS Registry Number: 106351-98-8
• SMILES: C3=C(N(CC2=CN=C1N=C(N=C(N)C1=N2)N)C)C=CC(=C3)C(=O)NC(CC[P](O)(O)=O)C(O)=O
• InChI: 1S/C19H23N8O6P/c1-27(9-11-8-22-16-14(23-11)15(20)25-19(21)26-16)12-4-2-10(3-5-12)17(28)24-13(18(29)30)6-7-34(31,32)33/h2-5,8,13H,6-7,9H2,1H3,(H,24,28)(H,29,30)(H2,31,32,33)(H4,20,21,22,25,26)
• InChIKey: WSHCJNSZXLKWSM-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)