Methotrexate-gamma-Dimethylamide
[CAS# 71074-44-7]

Identification

• Name: Methotrexate-gamma-Dimethylamide
• Synonyms: 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Dimethylamino-5-Oxo-Pentanoic Acid; 2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Dimethylamino-5-Oxopentanoic Acid; 2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Dimethylamino-5-Keto-Valeric Acid
• Molecular Formula: C₂₂H₂₇N₉O₄
• Molecular Weight: 481.51
• CAS Registry Number: 71074-44-7
• SMILES: C1=C(N=C2C(=N1)N=C(N=C2N)N)CN(C3=CC=C(C(=O)NC(C(=O)O)CCC(=O)N(C)C)C=C3)C
• InChI: 1S/C22H27N9O4/c1-30(2)16(32)9-8-15(21(34)35)27-20(33)12-4-6-14(7-5-12)31(3)11-13-10-25-19-17(26-13)18(23)28-22(24)29-19/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,33)(H,34,35)(H4,23,24,25,28,29)
• InChIKey: BHFZGVOUGIGQGR-UHFFFAOYSA-N

Properties

• Density: 1.423g/cm³ (Cal.)