2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-Phosphono-Butanoic Acid
[CAS# 106351-99-9]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-Phosphono-Butanoic Acid
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-Phosphono-Butanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]-4-Phosphonobutanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]-4-Phosphono-Butyric Acid
• Molecular Formula: C₁₈H₂₁N₈O₆P
• Molecular Weight: 476.39
• CAS Registry Number: 106351-99-9
• SMILES: C1=C(C(=O)NC(CC[P](O)(O)=O)C(O)=O)C=CC(=C1)NCC3=CN=C2N=C(N=C(N)C2=N3)N
• InChI: 1S/C18H21N8O6P/c19-14-13-15(26-18(20)25-14)22-8-11(23-13)7-21-10-3-1-9(2-4-10)16(27)24-12(17(28)29)5-6-33(30,31)32/h1-4,8,12,21H,5-7H2,(H,24,27)(H,28,29)(H2,30,31,32)(H4,19,20,22,25,26)
• InChIKey: DIKMWUBVYMCSJH-UHFFFAOYSA-N

Properties

• Density: 1.67g/cm³ (Cal.)