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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 AYCuDeXpkQh
Name 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
Compound Number 1
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 N.C.GONNELLA,J.A.SMOLIGA,S.CAMPBELL,C.A.BUSACCA,M.CERRETA,R. VARSOLONA,D.L.NORWOO
Literature Reference Citation J.PHARM.BIOM.ANAL.,51,1047(2010)
Literature Reference DOI 10.1016/j.jpba.2009.11.012
Molecular Weight 441.489 g/mol
Solvent SOLID-STATE
Source File Reference UWMZ44216