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1-BUTYL-8-[4-[(4-ETHYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID D3vpSDgoKRF
InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)
InChIKey GXXUBSFHBWUPBT-UHFFFAOYSA-N
Mol Weight 454.53 g/mol
Molecular Formula C23H30N6O4
Exact Mass 454.232853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qs1EqA96AK
Name 1-BUTYL-8-[4-[(4-ETHYLPIPERAZIN-1-YL)-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N6O4
InChI InChI=1S/C23H30N6O4/c1-3-5-10-29-22(31)19-21(26-23(29)32)25-20(24-19)16-6-8-17(9-7-16)33-15-18(30)28-13-11-27(4-2)12-14-28/h6-9H,3-5,10-15H2,1-2H3,(H,24,25)(H,26,32)
InChIKey GXXUBSFHBWUPBT-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 454.529 g/mol
Sample ID 64310
Solvent DMSO-D6