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#10;(2S,2'S)-2,2'-[[2,2'-DIAMINO-4,4',6-TRIOXO-1,4,4',6,7,7'-HEXAHYDRO-1'H,5H-5,6'-BIPYRROLO-[2,3-D]-PYRIMIDINE-5,5'-DIYL]-BIS-(ETHYLENEBENZENE-4,1-DIYL

Compound with spectra: 2 NMR

#10;(2S,2'S)-2,2'-[[2,2'-DIAMINO-4,4',6-TRIOXO-1,4,4',6,7,7'-HEXAHYDRO-1'H,5H-5,6'-BIPYRROLO-[2,3-D]-PYRIMIDINE-5,5'-DIYL]-BIS-(ETHYLENEBENZENE-4,1-DIYL
SpectraBase Compound ID GRltcvnqCXG
InChI InChI=1S/C40H40N10O13/c41-38-47-29-26(33(57)49-38)21(10-5-17-1-6-19(7-2-17)31(55)43-22(35(59)60)11-13-24(51)52)28(45-29)40(27-30(46-37(40)63)48-39(42)50-34(27)58)16-15-18-3-8-20(9-4-18)32(56)44-23(36(61)62)12-14-25(53)54/h1-4,6-9,22-23H,5,10-16H2,(H,43,55)(H,44,56)(H,51,52)(H,53,54)(H,59,60)(H,61,62)(H4,41,45,47,49,57)(H4,42,46,48,50,58,63)/t22-,23-,40?/m0/s1
InChIKey MYCCYMLLSPAQLR-SRBWTXITSA-N
Mol Weight 868.8 g/mol
Molecular Formula C40H40N10O13
Exact Mass 868.277631 g/mol
Enantiomer InChIKey MYCCYMLLSPAQLR-WWPWYGQUSA-N

View Spectrum of #10;(2S,2'S)-2,2'-[[2,2'-DIAMINO-4,4',6-TRIOXO-1,4,4',6,7,7'-HEXAHYDRO-1'H,5H-5,6'-BIPYRROLO-[2,3-D]-PYRIMIDINE-5,5'-DIYL]-BIS-(ETHYLENEBENZENE-4,1-DIYL

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of #10;(2S,2'S)-2,2'-[[2,2'-DIAMINO-4,4',6-TRIOXO-1,4,4',6,7,7'-HEXAHYDRO-1'H,5H-5,6'-BIPYRROLO-[2,3-D]-PYRIMIDINE-5,5'-DIYL]-BIS-(ETHYLENEBENZENE-4,1-DIYL

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Synthesis and Physicochemical Characterization of the Impurities of Pemetrexed Disodium, an Anticancer Drug Molecules 2015
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