Methotrexate-gamma-Monoamide
[CAS# 64801-56-5]

Identification

• Name: Methotrexate-gamma-Monoamide
• Synonyms: 5-Amino-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Oxo-Pentanoic Acid; 5-Amino-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxopentanoic Acid; 5-Amino-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₀H₂₃N₉O₄
• Molecular Weight: 453.46
• CAS Registry Number: 64801-56-5
• SMILES: C1=NC3=C(N=C1CN(C2=CC=C(C(=O)NC(C(=O)O)CCC(=O)N)C=C2)C)C(=NC(=N3)N)N
• InChI: 1S/C20H23N9O4/c1-29(9-11-8-24-17-15(25-11)16(22)27-20(23)28-17)12-4-2-10(3-5-12)18(31)26-13(19(32)33)6-7-14(21)30/h2-5,8,13H,6-7,9H2,1H3,(H2,21,30)(H,26,31)(H,32,33)(H4,22,23,24,27,28)
• InChIKey: YFSVPBJUHQLTIQ-UHFFFAOYSA-N

Properties

• Density: 1.502g/cm³ (Cal.)