Lysine-Methotrexate
[CAS# 80407-56-3]

Identification

• Name: Lysine-Methotrexate
• Synonyms: (2S)-6-Amino-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Phenyl]Carbonylamino]Hexanoic Acid
• Molecular Formula: C₂₁H₂₇N₉O₃
• Molecular Weight: 453.50
• CAS Registry Number: 80407-56-3
• SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCCCN
• InChI: 1S/C21H27N9O3/c1-30(11-13-10-25-18-16(26-13)17(23)28-21(24)29-18)14-7-5-12(6-8-14)19(31)27-15(20(32)33)4-2-3-9-22/h5-8,10,15H,2-4,9,11,22H2,1H3,(H,27,31)(H,32,33)(H4,23,24,25,28,29)/t15-/m0/s1
• InChIKey: XERJQLWAFDLUGV-HNNXBMFYSA-N

Properties

• Density: 1.412g/cm³ (Cal.)