3',5'-Dibromoaminopterin
[CAS# 1948-22-7]

Identification

• Name: 3',5'-Dibromoaminopterin
• Synonyms: (2S)-2-[[[3,5-Dibromo-4-[(2,4-Diamino-6-Pteridinyl)Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[3,5-Dibromo-4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[3,5-Dibromo-4-[(2,4-Diaminopteridin-6-Yl)Methylamino]Phenyl]Carbonylamino]Pentanedioic Acid
• Molecular Formula: C₁₉H₁₈Br₂N₈O₅
• Molecular Weight: 598.21
• CAS Registry Number: 1948-22-7
• SMILES: [C@@H](NC(=O)C3=CC(=C(NCC2=NC1=C(N=C(N=C1N=C2)N)N)C(=C3)Br)Br)(C(=O)O)CCC(=O)O
• InChI: 1S/C19H18Br2N8O5/c20-9-3-7(17(32)27-11(18(33)34)1-2-12(30)31)4-10(21)13(9)24-5-8-6-25-16-14(26-8)15(22)28-19(23)29-16/h3-4,6,11,24H,1-2,5H2,(H,27,32)(H,30,31)(H,33,34)(H4,22,23,25,28,29)/t11-/m0/s1
• InChIKey: VYIFCKJIALFJDA-NSHDSACASA-N

Properties

• Density: 1.933g/cm³ (Cal.)