2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]-3,5-Difluorobenzoyl]Amino]Pentanedioic Acid
[CAS# 34378-64-8]

Identification

• Name: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methylamino]-3,5-Difluorobenzoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]-3,5-Difluoro-Benzoyl]Amino]Pentanedioic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]-3,5-Difluorophenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]-3,5-Difluoro-Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₀F₂N₈O₅
• Molecular Weight: 490.43
• CAS Registry Number: 34378-64-8
• SMILES: C1=C(C(=O)NC(CCC(O)=O)C(O)=O)C=C(F)C(=C1F)N(CC2=NC3=C(N=C2)N=C(N=C3N)N)C
• InChI: 1S/C20H20F2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
• InChIKey: WLGUDGOIFDAKHG-UHFFFAOYSA-N

Properties

• Density: 1.613g/cm³ (Cal.)