Methotrexate-alpha Glutamate
[CAS# 71074-49-2]

Identification

• Name: Methotrexate-alpha Glutamate
• Synonyms: 2-[[2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Pentanedioic Acid; 2-[[2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]Pentanedioic Acid; 2-[[2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₂₉N₉O₈
• Molecular Weight: 583.56
• CAS Registry Number: 71074-49-2
• SMILES: C1=C(C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(O)=O)C=CC(=C1)N(CC2=NC3=C(N=C2)N=C(N=C3N)N)C
• InChI: 1S/C25H29N9O8/c1-34(11-13-10-28-21-19(29-13)20(26)32-25(27)33-21)14-4-2-12(3-5-14)22(39)30-15(6-8-17(35)36)23(40)31-16(24(41)42)7-9-18(37)38/h2-5,10,15-16H,6-9,11H2,1H3,(H,30,39)(H,31,40)(H,35,36)(H,37,38)(H,41,42)(H4,26,27,28,32,33)
• InChIKey: GCHKEUJNMCBNBS-UHFFFAOYSA-N

Properties

• Density: 1.539g/cm³ (Cal.)