Products 2097714-09-3

CAS 2097714-09-3 is the registry number for Delafloxacin Impurity 20. Offered by: Chemat Brand. Available pack sizes: on request.

Delafloxacin Impurity 20
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[[2-hydroxy-3-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl]amino]-4-oxoquinoline-3-carboxylic acid (CAS 2097714-09-3) is a chemical compound with the molecular formula C25H29ClF3N5O9 and a molecular weight of 636.0 g/mol. IUPAC name: 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[[2-hydroxy-3-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl]amino]-4-oxoquinoline-3-carboxylic acid. InChIKey: DAJHSRRWXXWEQQ-XKKPVTHWSA-N.

Identity
Molecular formulaC25H29ClF3N5O9
Molecular weight636.0 g/mol
IUPAC name1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[[2-hydroxy-3-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]propyl]amino]-4-oxoquinoline-3-carboxylic acid
InChIKeyDAJHSRRWXXWEQQ-XKKPVTHWSA-N
SMILESCN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CC(CNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=C(C=C(C(=N3)N)F)F)F)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol C25H29ClF3N5O9