Aminopterin
[CAS# 58602-66-7]

Identification

• Name: Aminopterin
• Synonyms: 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; Sodium; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; Sodium; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid; Sodium
• Molecular Formula: C₁₉H₂₀N₈Na₂O₅
• Molecular Weight: 486.40
• CAS Registry Number: 58602-66-7
• SMILES: [Na].[Na].C(NC1=CC=C(C(=O)NC(C(=O)O)CCC(=O)O)C=C1)C3=NC2=C(N=C(N=C2N=C3)N)N
• InChI: 1S/C19H20N8O5.2Na/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29;;/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)
• InChIKey: YYAMWFYGRJURQD-UHFFFAOYSA-N