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N-(3,3-dimethylindolin-6-yl)-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]nicotinamide

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N-(3,3-dimethylindolin-6-yl)-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]nicotinamide
SpectraBase Compound ID 1THVPE26Rbl
InChI InChI=1S/C22H23N5O2/c1-22(2)14-25-19-12-16(5-6-18(19)22)26-21(28)17-4-3-9-23-20(17)24-13-15-7-10-27(29)11-8-15/h3-12,25H,13-14H2,1-2H3,(H,23,24)(H,26,28)
InChIKey ASLJCBAIAYCPAX-UHFFFAOYSA-N
Mol Weight 389.46 g/mol
Molecular Formula C22H23N5O2
Exact Mass 389.185175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VKRc2DgO7i
Name N-(3,3-dimethylindolin-6-yl)-2-[(1-oxidopyridin-1-ium-4-yl)methylamino]nicotinamide
Compound Number M3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23N5O2
InChI InChI=1S/C22H23N5O2/c1-22(2)14-25-19-12-16(5-6-18(19)22)26-21(28)17-4-3-9-23-20(17)24-13-15-7-10-27(29)11-8-15/h3-12,25H,13-14H2,1-2H3,(H,23,24)(H,26,28)
InChIKey ASLJCBAIAYCPAX-UHFFFAOYSA-N
Literature Reference Author C.LI,M.KUCHIMANCHI,D.HICKMAN,L.POPPE,M.HAYASHI,Y.ZHOU,R.SUBR AMANIAN,G.KUMAR,S.SU
Literature Reference Citation DRUG.MET.DISP.,37,1378(2009)
Literature Reference DOI 10.1124/dmd.108.025742
Molecular Weight 389.457 g/mol
Source File Reference UWLU74080