2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethoxy]Benzoyl]Amino]Pentanedioic Acid
[CAS# 78520-72-6]

Identification

• Name: 2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethoxy]Benzoyl]Amino]Pentanedioic Acid
• Synonyms: 2-[[[4-[2-(2,4-Diamino-6-Pteridinyl)Ethoxy]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethoxy]Benzoyl]Amino]Glutaric Acid; 2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethoxy]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₆
• Molecular Weight: 455.43
• CAS Registry Number: 78520-72-6
• SMILES: C1=C(C(=O)NC(CCC(O)=O)C(O)=O)C=CC(=C1)OCCC2=NC3=C(N=C2)N=C(N=C3N)N
• InChI: 1S/C20H21N7O6/c21-16-15-17(27-20(22)26-16)23-9-11(24-15)7-8-33-12-3-1-10(2-4-12)18(30)25-13(19(31)32)5-6-14(28)29/h1-4,9,13H,5-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)
• InChIKey: JTHMPDYXHCUKIJ-UHFFFAOYSA-N

Properties

• Density: 1.527g/cm³ (Cal.)