2-Desaminopterin
[CAS# 118869-51-5]

Identification

• Name: 2-Desaminopterin
• Synonyms: (2S)-2-[[[4-[(4-Amino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Aminopteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[(4-Aminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₉H₁₉N₇O₅
• Molecular Weight: 425.40
• CAS Registry Number: 118869-51-5
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2=NC1=C(N=CN=C1N=C2)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C19H19N7O5/c20-16-15-17(24-9-23-16)22-8-12(25-15)7-21-11-3-1-10(2-4-11)18(29)26-13(19(30)31)5-6-14(27)28/h1-4,8-9,13,21H,5-7H2,(H,26,29)(H,27,28)(H,30,31)(H2,20,22,23,24)/t13-/m0/s1
• InChIKey: ACWNWYYLDYBWEG-ZDUSSCGKSA-N

Properties

• Density: 1.548g/cm³ (Cal.)
• Boiling point: 786.909°C at 760 mmHg (Cal.)
• Flash point: 429.707°C (Cal.)