2-Desamino-2-Methylaminopterin
[CAS# 118869-52-6]

Identification

• Name: 2-Desamino-2-Methylaminopterin
• Synonyms: (2S)-2-[[4-[(4-Amino-2-Methyl-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[(4-Amino-2-Methyl-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[(4-Amino-2-Methyl-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₁N₇O₅
• Molecular Weight: 439.43
• CAS Registry Number: 118869-52-6
• SMILES: [C@@H](NC(=O)C3=CC=C(NCC2=NC1=C(N=C(N=C1N=C2)C)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C20H21N7O5/c1-10-24-17(21)16-18(25-10)23-9-13(26-16)8-22-12-4-2-11(3-5-12)19(30)27-14(20(31)32)6-7-15(28)29/h2-5,9,14,22H,6-8H2,1H3,(H,27,30)(H,28,29)(H,31,32)(H2,21,23,24,25)/t14-/m0/s1
• InChIKey: XOSWZVVCHBBRAM-AWEZNQCLSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 716.841°C at 760 mmHg (Cal.)
• Flash point: 387.332°C (Cal.)