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1-Cyclopropyl-7-(4-[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(propionylamino)ethyl]-1-piperazinyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID 3TU9jTYT1Tn
InChI InChI=1S/C25H28F4N4O6/c1-3-20(34)30-24(25(27,28)29,23(38)39-4-2)32-9-7-31(8-10-32)19-12-18-15(11-17(19)26)21(35)16(22(36)37)13-33(18)14-5-6-14/h11-14H,3-10H2,1-2H3,(H,30,34)(H,36,37)
InChIKey LPMATLYZOMJOIQ-UHFFFAOYSA-N
Mol Weight 556.51 g/mol
Molecular Formula C25H28F4N4O6
Exact Mass 556.194497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KDxTofAPME
Name 1-Cyclopropyl-7-(4-[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(propionylamino)ethyl]-1-piperazinyl)-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28F4N4O6
InChI InChI=1S/C25H28F4N4O6/c1-3-20(34)30-24(25(27,28)29,23(38)39-4-2)32-9-7-31(8-10-32)19-12-18-15(11-17(19)26)21(35)16(22(36)37)13-33(18)14-5-6-14/h11-14H,3-10H2,1-2H3,(H,30,34)(H,36,37)
InChIKey LPMATLYZOMJOIQ-UHFFFAOYSA-N
Molecular Weight 556.515 g/mol
SMILES N(C(N1CCN(c2c(cc3c(N(C=C(C(=O)O)C3=O)C3CC3)c2)F)CC1)(C(=O)OCC)C(F)(F)F)C(=O)CC
SPLASH splash10-0a4i-9230000000-bd86ecd92ca82ab140ce
Synonyms 1-cyclopropyl-7-[4-[1-ethoxycarbonyl-2,2,2-trifluoro-1-(propanoylamino)ethyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid 1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(1-oxopropylamino)propan-2-yl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-7-[4-[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-(propanoylamino)propan-2-yl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid 7-[4-(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
Wiley ID 1468621