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1-BUTYL-8-[4-[(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID 6phBBiz19zv
InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)
InChIKey YGOGDSPLTDDFNE-UHFFFAOYSA-N
Mol Weight 468.51 g/mol
Molecular Formula C23H28N6O5
Exact Mass 468.212118 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84ZWzB2E2El
Name 1-BUTYL-8-[4-[(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N6O5
InChI InChI=1S/C23H28N6O5/c1-3-4-9-29-22(32)19-21(26-23(29)33)25-20(24-19)16-5-7-17(8-6-16)34-14-18(31)28-12-10-27(11-13-28)15(2)30/h5-8H,3-4,9-14H2,1-2H3,(H,24,25)(H,26,33)
InChIKey YGOGDSPLTDDFNE-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 468.513 g/mol
Sample ID 64311
Solvent DMSO-D6