AG002I64

189279-58-1 | 3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-

AG002I64

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CAS Number	189279-58-1
Catalog Number	AG002I64(AGN-PC-0QIQPJ)
Chemical Name	3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-
IUPAC Name	1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
InChI Key	DYDCPNMLZGFQTM-UHFFFAOYSA-N
MDL Number	MFCD09955301
Molecular Formula	C18H12ClF3N4O4
Molecular Weight	440.7605
SMILES	O=C(C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(C=C(F)C(N4CC(O)C4)=C3Cl)C1=O)O
UNII	6315412YVF
Synonyms	1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ABT 492, ABT-492, ABT492, delafloxacin, RX-3341, Delafloxacin, 189279-58-1, ABT-492, WQ-3034, Abt 492, 1-(6-AMINO-3,5-DIFLUOROPYRIDIN-2-YL)-8-CHLORO-6-FLUORO-7-(3-HYDROXYAZETIDIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, RX-3341, ABT492, UNII-6315412YVF, 6315412YVF, 3-Quinolinecarboxylic acid, 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-, Baxdela, 1-(6-amino-3,5-difluoro-2-pyridyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid, 1-(6-amino-3,5-difluoropyridin-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid, Delafloxacin [USAN:INN], Delafloxacinum, Delafloxacin (USAN), DelafloxacinABT-492, AC1LAFLM, C18H12ClF3N4O4, SCHEMBL294694, QCR-52, CHEMBL2105637, CTK4E0086, KS-00000TIQ, Delafloxacin, >=98% (HPLC), DTXSID40172331, DYDCPNMLZGFQTM-UHFFFAOYSA-N, EX-A2331, ZINC3827556, AKOS027270087, CS-1478, DB11943, SB16746, WQ 3034, NCGC00390187-01, AK232294, HY-14814, SC-52686, AB0032510, FT-0697895, X5822, D09330, W-5433, RX-3341; WQ-3034; ABT492; Delafloxacin, A-319492, WQ-3034, ABT492;189279-58-1, 1-(6-AMINO-3,5-DIFLUORO(PYRIDIN-2-YL))-8-CHLORO-6-FLUORO-7-(3-HYDROXYAZETIDIN-1-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 1-(6-amino-3,5-difluoropyridine-2-yl)-8-chloro-6-fluoro-7-(3-hydroxyazetidine-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Delafloxacin meglumine, Delafloxacin [USAN], Delafloxacin, ABT-492, D0V9BU, CID487101, ACN-052287, A10023, C477891, 1256037-58-7,

Complexity	755
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	440.05g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	440.763g/mol
Monoisotopic Mass	440.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number