Delafloxacin
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular Identity
Delafloxacin
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID: 487101
2D Structure
Properties
C18H12ClF3N4O4
Molecular Formula
440.80
Molecular Weight
g/mol
440.0499
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
11
H-Bond Acceptors
755
Complexity
SMILES
Canonical SMILES
SMILES: C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)OIsomeric SMILES
SMILES: C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)OSynonyms(20)
Delafloxacin189279-58-11-(6-AMINO-3,5-DIFLUOROPYRIDIN-2-YL)-8-CHLORO-6-FLUORO-7-(3-HYDROXYAZETIDIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDWQ-3034RX-3341ABT492delafloxacinedelafloxacinoDelafloxacinum1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-DTXSID401723316315412YVFJ01MA23WQ 3034
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Delafloxacin
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