Nadifloxacin Impurity 2

CAT: 1596-AR-D01791-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D01791-01Size:10 Units

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CAS Number

130539-72-9

Synonyms

9-fluoro-5-methyl-1-oxo-8- (4-oxo-3,4-dihydropyridin-1 (2H) -yl) -1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

Molecular Formula

C19H17FN2O4

Molecular Weight

356.35

API Name

Difloxacin

Chemical Information

Nadifloxacin isomer 2

CAS Number	130539-72-9
PubChem CID	14772467
IUPAC Name	7-fluoro-12-methyl-4-oxo-8-(4-oxo-2,3-dihydropyridin-1-yl)-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular Formula	C19H17FN2O4
Molecular Weight	356.3
XLogP	2.7
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	718

SMILES

CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(=O)C=C4)F)C(=O)O

InChI

InChI=1S/C19H17FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h4,6,8-10H,2-3,5,7H2,1H3,(H,25,26)

InChIKey

WKEGKVZMFNTXSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130539-72-9

CID: 14772467

Formula: C19H17FN2O4

MW: 356.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.3
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	356.11723519
Monoisotopic Mass	356.11723519
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-N040601-01	Nadifloxacin Impurity A
N062-250MG	Nadifloxacin