AVE9423

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Systematic / IUPAC Name: 1-(2-Carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

ID: Reference2987

Other Names: 1-(2-Carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Formula: C23H12Cl2F2N2O5

Spectral Data

AVE9423 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 10/20/2015 7:22:24 AM
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Identificators

InChI InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)
InChI Key OEMJXSVJXPIFMA-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)C(=O)O)N2C=C(C(=O)C3=CC(=C(C=C32)Cl)NC4=C(C=C(C=C4Cl)F)F)C(=O)O
CAS 862243296
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Other Names 1-(2-Carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

In Other Databases

ChEMBL CHEMBL1231097
PubChem 24798733
ChemSpider 22376569