Methotrexate-gamma-Methylamide
[CAS# 67036-48-0]

Identification

• Name: Methotrexate-gamma-Methylamide
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Methylamino-5-Oxo-Pentanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Methylamino-5-Oxopentanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-5-Methylamino-Valeric Acid
• Molecular Formula: C₂₁H₂₅N₉O₄
• Molecular Weight: 467.49
• CAS Registry Number: 67036-48-0
• SMILES: C1=C(N=C2C(=N1)N=C(N=C2N)N)CN(C3=CC=C(C(=O)NC(C(=O)O)CCC(=O)NC)C=C3)C
• InChI: 1S/C21H25N9O4/c1-24-15(31)8-7-14(20(33)34)27-19(32)11-3-5-13(6-4-11)30(2)10-12-9-25-18-16(26-12)17(22)28-21(23)29-18/h3-6,9,14H,7-8,10H2,1-2H3,(H,24,31)(H,27,32)(H,33,34)(H4,22,23,25,28,29)
• InChIKey: BOKUWBZDTDLPGM-UHFFFAOYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)