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7-[4-(BIS-PHOSPHONO-METHYL)-PIPERIZIN-1-YL]-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID JL3T2FGLiZK
InChI InChI=1S/C18H22FN3O9P2/c19-13-7-11-14(22(10-1-2-10)9-12(16(11)23)17(24)25)8-15(13)20-3-5-21(6-4-20)18(32(26,27)28)33(29,30)31/h7-10,18H,1-6H2,(H,24,25)(H2,26,27,28)(H2,29,30,31)
InChIKey MQUMLQZRONNKHW-UHFFFAOYSA-N
Mol Weight 505.33 g/mol
Molecular Formula C18H22FN3O9P2
Exact Mass 505.081531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IUGAtqgE1b
Name 7-[4-(BIS-PHOSPHONO-METHYL)-PIPERIZIN-1-YL]-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC-ACID
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18FN3O9P2
InChI InChI=1S/C18H22FN3O9P2/c19-13-7-11-14(22(10-1-2-10)9-12(16(11)23)17(24)25)8-15(13)20-3-5-21(6-4-20)18(32(26,27)28)33(29,30)31/h7-10,18H,1-6H2,(H,24,25)(H2,26,27,28)(H2,29,30,31)
InChIKey MQUMLQZRONNKHW-UHFFFAOYSA-N
Literature Reference Author P.HERCZEGH,T.B.BUXTON,J.C.M.PHERSON,A.KOVACS-KULYASSA,P.D.BR EWER,F.SZTARICSKAI,G
Literature Reference Citation J.MED.CHEM.,45,2338(2002)
Literature Reference DOI 10.1021/jm0105326
Molecular Weight 501.302 g/mol
Sample ID 64392
Solvent D2O:K2CO3