Methotrexate sodium salt
[CAS# 15475-56-6]

Identification

• Name: Methotrexate sodium salt
• Synonyms: Sodium 4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoate; Sodium 4-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Hydroxy-5-Oxopentanoate; Sodium 4-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Hydroxy-5-Keto-Valerate
• Molecular Formula: C₂₀H₂₁N₈NaO₅
• Molecular Weight: 476.43
• CAS Registry Number: 15475-56-6
• EINECS: 239-495-5
• SMILES: C2=NC1=NC(=NC(=C1N=C2CN(C3=CC=C(C(=O)NC(C(=O)O)CCC([O-])=O)C=C3)C)N)N.[Na+]
• InChI: 1S/C20H22N8O5.Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);/q;+1/p-1
• InChIKey: BKBBTCORRZMASO-UHFFFAOYSA-M