Deaza-Aminopterin
[CAS# 18921-68-1]

Identification

• Name: Deaza-Aminopterin
• Synonyms: 2-[[[4-[(2,4-Diamino-6-Quinazolinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2,4-Diaminoquinazolin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; 2-[[4-[(2,4-Diaminoquinazolin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₂₁H₂₂N₆O₅
• Molecular Weight: 438.44
• CAS Registry Number: 18921-68-1
• SMILES: C2=C1C(=NC(=NC1=CC=C2CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N)N
• InChI: 1S/C21H22N6O5/c22-18-14-9-11(1-6-15(14)26-21(23)27-18)10-24-13-4-2-12(3-5-13)19(30)25-16(20(31)32)7-8-17(28)29/h1-6,9,16,24H,7-8,10H2,(H,25,30)(H,28,29)(H,31,32)(H4,22,23,26,27)
• InChIKey: IOLLERXPKZGYRA-UHFFFAOYSA-N

Properties

• Density: 1.508g/cm³ (Cal.)