CAS 80801-54-3

Formula: C40H50N12O17

InChI: InChI=1S/C40H50N12O17/c1-52(17-19-16-43-33-31(44-19)32(41)50-40(42)51-33)20-4-2-18(3-5-20)34(59)49-25(39(68)69)9-14-29(56)47-23(37(64)65)7-12-27(54)45-21(35(60)61)6-11-26(53)46-22(36(62)63)8-13-28(55)48-24(38(66)67)10-15-30(57)58/h2-5,16,21-25H,6-15,17H2,1H3,(H,45,54)(H,46,53)(H,47,56)(H,48,55)(H,49,59)(H,57,58)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H4,41,42,43,50,51)/t21-,22-,23-,24-,25-/m0/s1

InChI key: SZLWAWGNNSPTLK-KEOOTSPTSA-N

SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Methotrexate-d3 Pentaglutamate Trifluoroacetate (>90%)

Controlled Product

CAS: 432545-63-6, 80801-54-3

Applications Methotrexate-d3 Pentaglutamate is the isotope labelled analog of Methotrexate Pentaglutamate (M260735); a metabolite of Methotrexate (M260675) which is 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)

Formula: C₄₀H₄₇D₃N₁₂O₁₇(C₂HF₃O₂)x

Purity: >90%

Color and Shape: Neat

Molecular weight: 973.91

Ref: TR-M260737

Methotrexate Pentaglutamate-13C5, 15N

Controlled Product

CAS: 80801-54-3

Formula: C₃₅C₅H₅₀N₁₁NO₁₇

Color and Shape: Neat

Molecular weight: 976.85

Ref: TR-M260736