7-Hydroxy Methotrexate
[CAS# 5939-37-7]

Identification

• Name: 7-Hydroxy Methotrexate
• Synonyms: 2-[[4-[(2,4-Diamino-7-Oxo-8H-Pteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Pentanedioic Acid; 2-[[[4-[(2,4-Diamino-7-Oxo-8H-Pteridin-6-Yl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; 2-[[4-[(2,4-Diamino-7-Keto-8H-Pteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₀H₂₂N₈O₆
• Molecular Weight: 470.44
• CAS Registry Number: 5939-37-7
• SMILES: C3=C(N(CC2=NC1=C(N=C(N=C1NC2=O)N)N)C)C=CC(=C3)C(=O)NC(CCC(O)=O)C(O)=O
• InChI: 1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)
• InChIKey: HODZDDDNGRLGSI-UHFFFAOYSA-N

Properties

• Density: 1.684g/cm³ (Cal.)