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5,11-DIHYDRO-11-ETHYL-5-METHYL-8-(2-(1-OXIDO-4-QUINOLINYL)-ETHYL-6-H-DIPYRIDO-(3.2-B:2'.3'-E)-DIAZEPIN-6-ONE;SOLID-DIHYDRATE

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5,11-DIHYDRO-11-ETHYL-5-METHYL-8-(2-(1-OXIDO-4-QUINOLINYL)-ETHYL-6-H-DIPYRIDO-(3.2-B:2'.3'-E)-DIAZEPIN-6-ONE;SOLID-DIHYDRATE
SpectraBase Compound ID 6k88CV1wBOx
InChI InChI=1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3
InChIKey BEMBRAMZGVDPMH-UHFFFAOYSA-N
Mol Weight 441.49 g/mol
Molecular Formula C25H23N5O3
Exact Mass 441.18009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3m6KNRH47Z1
Name 11-ETHYL-5,11-DIHYDRO-5-METHYL-8-[2-[(1-OXIDO-4-QUINOLINYL)-OXY]-ETHYL]-6H-DIPYRIDO-[3,2-B:2',3'-E]-[1,4]-DIAZEPIN-6-ONE;BILR-355
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23N5O3
InChI InChI=1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3
InChIKey BEMBRAMZGVDPMH-UHFFFAOYSA-N
Literature Reference Author Y.LI,W.G.LAI,A.WHITCHER-JOHNSTONE,C.A.BUSACCA,M.C.ERIKSSON,J .C.LORENZ,D.J.TWEEDI
Literature Reference Citation DRUG.MET.DISP.,40,1122(2012)
Literature Reference DOI 10.1124/dmd.111.044354
Molecular Weight 441.489 g/mol
Source File Reference UWLU75292