10-Propargylaminopterin
[CAS# 82318-25-0]

Identification

• Name: 10-Propargylaminopterin
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Prop-2-Ynyl-Amino]Benzoyl]Amino]Pentanedioic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Prop-2-Ynylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Propargyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₂N₈O₅
• Molecular Weight: 478.47
• CAS Registry Number: 82318-25-0
• SMILES: C1=C(N=C2C(=N1)N=C(N=C2N)N)CN(C3=CC=C(C(=O)NC(C(=O)O)CCC(=O)O)C=C3)CC#C
• InChI: 1S/C22H22N8O5/c1-2-9-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-5-3-12(4-6-14)20(33)27-15(21(34)35)7-8-16(31)32/h1,3-6,10,15H,7-9,11H2,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)
• InChIKey: GMNLACQTNWJVHI-UHFFFAOYSA-N