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1-BUTYL-8-[4-[(4-ETHOXYCARBONYL-PIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID CpXogXSTdyD
InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)
InChIKey SAIMCJSPHKXHRK-UHFFFAOYSA-N
Mol Weight 498.54 g/mol
Molecular Formula C24H30N6O6
Exact Mass 498.222683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DiV0cgRYHUy
Name 1-BUTYL-8-[4-[(4-ETHOXYCARBONYL-PIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H30N6O6
InChI InChI=1S/C24H30N6O6/c1-3-5-10-30-22(32)19-21(27-23(30)33)26-20(25-19)16-6-8-17(9-7-16)36-15-18(31)28-11-13-29(14-12-28)24(34)35-4-2/h6-9H,3-5,10-15H2,1-2H3,(H,25,26)(H,27,33)
InChIKey SAIMCJSPHKXHRK-UHFFFAOYSA-N
Literature Reference Author A.M.HAYALLAH,J.SANDOVAL-RAMIREZ,U.REITH,U.SCHOBERT,B.PREISS, B.SCHUMACHER,J.W.DAL
Literature Reference Citation J.MED.CHEM.,45,1500(2002)
Literature Reference DOI 10.1021/jm011049y
Molecular Weight 498.539 g/mol
Sample ID 64312
Solvent DMSO-D6