For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-BUTYL-8-[4-[(4-CARBOXYMETHYL)-PHENYLAMINO-2-OXOETHOXY]-PHENYL]-XANTHINE
SpectraBase Compound ID CNCaYuUi8BM
InChI InChI=1S/C25H25N5O6/c1-2-3-12-30-24(34)21-23(29-25(30)35)28-22(27-21)16-6-10-18(11-7-16)36-14-19(31)26-17-8-4-15(5-9-17)13-20(32)33/h4-11H,2-3,12-14H2,1H3,(H,26,31)(H,27,28)(H,29,35)(H,32,33)
InChIKey PLUAHDYTKGOCOC-UHFFFAOYSA-N
Mol Weight 491.5 g/mol
Molecular Formula C25H25N5O6
Exact Mass 491.180484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Cj5sA3FIo6g
Name 1-BUTYL-8-[4-[(4-CARBOXYMETHYL)-PHENYLAMINO-2-OXOETHOXY]-PHENYL]-XANTHINE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25N5O6
InChI InChI=1S/C25H25N5O6/c1-2-3-12-30-24(34)21-23(29-25(30)35)28-22(27-21)16-6-10-18(11-7-16)36-14-19(31)26-17-8-4-15(5-9-17)13-20(32)33/h4-11H,2-3,12-14H2,1H3,(H,26,31)(H,27,28)(H,29,35)(H,32,33)
InChIKey PLUAHDYTKGOCOC-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 491.503 g/mol
Sample ID 64309
Solvent DMSO-D6