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1-BUTYL-8-[4-[(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID LFyUw8h2SXv
InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
InChIKey AARZBDDJPFYPSG-UHFFFAOYSA-N
Mol Weight 516.6 g/mol
Molecular Formula C28H32N6O4
Exact Mass 516.248504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKf2yDGHuJS
Name 1-BUTYL-8-[4-[(4-BENZYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N6O4
InChI InChI=1S/C28H32N6O4/c1-2-3-13-34-27(36)24-26(31-28(34)37)30-25(29-24)21-9-11-22(12-10-21)38-19-23(35)33-16-14-32(15-17-33)18-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,29,30)(H,31,37)
InChIKey AARZBDDJPFYPSG-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 516.600 g/mol
Sample ID 64314
Solvent DMSO-D6