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PIPERAQUINE-FREE-BASE;1,3-BIS-(1-7'-CHLORO-4-QUINOLYL-4-PIPERAZINYL-PROPANE
SpectraBase Compound ID 4pg5ZSsaheW
InChI InChI=1S/2C29H32Cl2N6/c2*30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2*2-9,20-21H,1,10-19H2
InChIKey ZOCWUFBJPCMIAG-UHFFFAOYSA-N
Mol Weight 1071.0 g/mol
Molecular Formula C58H64Cl4N12
Exact Mass 1068.413101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FI56vRlMwad
Name PIPERAQUINE-FREE-BASE;1,3-BIS-(1-7'-CHLORO-4-QUINOLYL-4-PIPERAZINYL-PROPANE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H64Cl4N12
InChI InChI=1S/2C29H32Cl2N6/c2*30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2*2-9,20-21H,1,10-19H2
InChIKey ZOCWUFBJPCMIAG-UHFFFAOYSA-N
Literature Reference Author J.M.FORTUNAK,S.R.BYRN,B.DYSON,Z.EKEOCHA,T.ELLISON,C.L.KING,A .A.KULKARNI,M.LEE
Literature Reference Citation TROP.J.PHARM.RES.,12,791(2013)
Molecular Weight 1071.039 g/mol
Solvent DMSO-D6
Source File Reference UWIR13732