Methotrexate Diglutamate Trifluoroacetate

CAS: 41600-13-9

Ref. TR-M260720

Product Information

• Name: Methotrexate Diglutamate Trifluoroacetate
• Synonyms: N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl-L-glutamic Acid Trifluoroacetate, 2,4-Diamino-N10-methylpteroylglutamyl-γ-glutamic Acid Trifluoroacetate, 4-Amino-4-deoxy-N10-methylpteroylglutamyl-γ-glutamate Trifluoroacetate, 4-Amino-4-deoxy-N10-methylpteroylglutamyl-γ-glutamic Acid Trifluoroacetate, NSC 269401 Trifluoroacetate
• Brand: TRC
• Description: Stability HygroscopicApplications Methotrexate Diglutamate is a metabolite of Methotrexate (M260675); a folic acid antagonist, antineoplastic, and antirheumatic.References Freeman, M.V., J. Pharmacol. Exp. Ther., 122, 154 (1958); Weinblass, M.E., et al.: N. Engl. J. Med., 312, 818 (1985)

Chemical properties

• Molecular weight: 583.55
• Formula: C₂₅H₂₉N₉O₈xC₂HF₃O₂
• Color/Form: Neat
• InChI: InChI=1S/C25H31N9O8.C2HF3O2/c1-34(11-15-10-28-22-20(30-15)21(26)32-25(27)33-22)16-5-2-13(3-6-16)23(38)31-17(24(39)40)7-8-18(35)29-14(12-42-41)4-9-19(36)37;3-2(4,5)1(6)7/h2-3,5-6,10,14,17,41H,4,7-9,11-12H2,1H3,(H,29,35)(H,31,38)(H,36,37)(H,39,40)(H4,26,27,28,32,33);(H,6,7)/t14-,17-;/m0./s1
• InChI key: InChIKey=ODIRVDBWIRZLML-RVXRQPKJSA-N
• SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H]([C]OO)CCC(=O)O)C(=O)O)cc1.O=C(O)C(F)(F)F