5-Deazaaminopterin
[CAS# 80360-09-4]

Identification

• Name: 5-Deazaaminopterin
• Synonyms: 2-[[[4-[(2,4-Diamino-6-Pyrido[6,5-D]Pyrimidinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2,4-Diaminopyrido[6,5-D]Pyrimidin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2,4-Diaminopyrido[6,5-D]Pyrimidin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₅
• Molecular Weight: 439.43
• CAS Registry Number: 80360-09-4
• SMILES: C1=C(C=NC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C(=O)NC(C(=O)O)CCC(=O)O)C=C3
• InChI: 1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)
• InChIKey: QLPRLGAHKHCVEW-UHFFFAOYSA-N

Properties

• Density: 1.548g/cm³ (Cal.)