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3,3'-(BUTANE-1,4-DIYL)-BIS-[5-(PIPERIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
SpectraBase Compound ID 4DisUCKR5AB
InChI InChI=1S/C22H36N6O4.2ClH/c29-19-17(15-25-9-3-1-4-10-25)23-21(31)27(19)13-7-8-14-28-20(30)18(24-22(28)32)16-26-11-5-2-6-12-26;;/h17-18H,1-16H2,(H,23,31)(H,24,32);2*1H
InChIKey CJDYAVWUHKILSI-UHFFFAOYSA-N
Mol Weight 521.49 g/mol
Molecular Formula C22H38Cl2N6O4
Exact Mass 520.233159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERG9vduYIPk
Name 3,3'-(BUTANE-1,4-DIYL)-BIS-[5-(PIPERIDIN-1-YL-METHYL)-IMIDAZOLIDINE-2,4-DIONE]-DIHYDROCHLORIDE
Compound Number 1 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38Cl2N6O4
InChI InChI=1S/C22H36N6O4.2ClH/c29-19-17(15-25-9-3-1-4-10-25)23-21(31)27(19)13-7-8-14-28-20(30)18(24-22(28)32)16-26-11-5-2-6-12-26;;/h17-18H,1-16H2,(H,23,31)(H,24,32);2*1H
InChIKey CJDYAVWUHKILSI-UHFFFAOYSA-N
Literature Reference Author F.FUJISAKI,H.AKI,A.NAITO,E.FUKAMI,N.KASHIGE,F.MIAKE,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,62,429(2014)
Literature Reference DOI 10.1248/cpb.c14-00017
Molecular Weight 521.488 g/mol
Solvent DMSO-D6:D2O
Source File Reference UWBT13871