D-Amethopterin Hydrate
[CAS# 6745-93-3]

Identification

• Name: D-Amethopterin Hydrate
• Synonyms: (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid Hydrate; (2S)-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid Hydrate; (2S)-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid Hydrate
• Molecular Formula: C₂₀H₂₄N₈O₆
• Molecular Weight: 472.46
• CAS Registry Number: 6745-93-3
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N)N)N=C2)C)C=C3)(C(=O)O)CCC(=O)O.O
• InChI: 1S/C20H22N8O5.H2O/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1H2/t13-;/m0./s1
• InChIKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N

Properties

• Boiling point: 931.3°C at 760 mmHg (Cal.)
• Flash point: 517°C (Cal.)