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5-CHLORO-7-{[9-(1,2,3,4-TETRAHYDROYCRIDIN-9-YLAMINO)-NONYLAMINO]-METHYL}-QUINOLIN-8-OL
SpectraBase Compound ID 2FC0rLR2Qyd
InChI InChI=1S/C32H40ClN5O/c33-27-21-23(32(39)31-24(27)15-12-19-35-31)22-34-18-10-4-2-1-3-5-11-20-36-38-30-25-13-6-8-16-28(25)37-29-17-9-7-14-26(29)30/h6,8,12-13,15-16,19,21,34,36,39H,1-5,7,9-11,14,17-18,20,22H2,(H,37,38)
InChIKey IHQOXUXUVVNMEK-UHFFFAOYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C32H40ClN5O
Exact Mass 545.292139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GV4AUvPg7lD
Name 5-CHLORO-7-{[9-(1,2,3,4-TETRAHYDROYCRIDIN-9-YLAMINO)-NONYLAMINO]-METHYL}-QUINOLIN-8-OL
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H40ClN5O
InChI InChI=1S/C32H40ClN5O/c33-27-21-23(32(39)31-24(27)15-12-19-35-31)22-34-18-10-4-2-1-3-5-11-20-36-38-30-25-13-6-8-16-28(25)37-29-17-9-7-14-26(29)30/h6,8,12-13,15-16,19,21,34,36,39H,1-5,7,9-11,14,17-18,20,22H2,(H,37,38)
InChIKey IHQOXUXUVVNMEK-UHFFFAOYSA-N
Literature Reference Author M.I.FERNANDEZ-BACHILLER,C.PEREZ,G.C.GONZALEZ-MUNOZ,S.CONDE,M .G.LOPEZ,M.VILLARROY
Literature Reference Citation J.MED.CHEM.,53,4927(2010)
Literature Reference DOI 10.1021/jm100329q
Molecular Weight 546.156 g/mol
Solvent CDCl2
Source File Reference UWMZ47328