Fluoromethotrexate
[CAS# 95755-20-7]

Identification

• Name: Fluoromethotrexate
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-4-Fluoro-Pentanedioic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-4-Fluoropentanedioic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Ben
• Molecular Formula: C₂₀H₂₁FN₈O₅
• Molecular Weight: 472.43
• CAS Registry Number: 95755-20-7
• SMILES: C1=NC3=C(N=C1CN(C2=CC=C(C(=O)NC(CC(F)C(=O)O)C(=O)O)C=C2)C)C(=NC(=N3)N)N
• InChI: 1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)
• InChIKey: FPCVFWSJHMLPDB-UHFFFAOYSA-N

Properties

• Density: 1.567g/cm³ (Cal.)