10-Deazaaminopterin
[CAS# 52454-37-2]

Identification

• Name: 10-Deazaaminopterin
• Synonyms: 2-[[[4-[2-(2,4-Diamino-6-Pteridinyl)Ethyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethyl]Benzoyl]Amino]Glutaric Acid; 2-[[4-[2-(2,4-Diaminopteridin-6-Yl)Ethyl]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₀H₂₁N₇O₅
• Molecular Weight: 439.43
• CAS Registry Number: 52454-37-2
• SMILES: C2=NC1=NC(=NC(=C1N=C2CCC3=CC=C(C(=O)NC(C(=O)O)CCC(=O)O)C=C3)N)N
• InChI: 1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)
• InChIKey: LGFLRHWJJKLPCC-UHFFFAOYSA-N

Properties

• Density: 1.513g/cm³ (Cal.)