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Lomefloxacin Impurity 9

CAT: 1299-RM-L130372-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L130372-01Size:10 mg
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CAS Number
195259-12-2
Synonyms
1-ethyl-6-fluoro-7- (4-methyl-2-oxoimidazolidin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Molecular Formula
C16H16FN3O4
Molecular Weight
333.32
Target Alternative Name
Lomefloxacin
Product Name Synonym
1-ethyl-6-fluoro-7- (4-methyl-2-oxoimidazolidin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

1-Ethyl-6-fluoro-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number195259-12-2
PubChem CID102250109
IUPAC Name1-ethyl-6-fluoro-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC16H16FN3O4
Molecular Weight333.31
XLogP1.2
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity608
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC(NC3=O)C)F)C(=O)O
InChI
InChI=1S/C16H16FN3O4/c1-3-19-7-10(15(22)23)14(21)9-4-11(17)13(5-12(9)19)20-6-8(2)18-16(20)24/h4-5,7-8H,3,6H2,1-2H3,(H,18,24)(H,22,23)
InChIKey
LRCVLAZNTRDVPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethyl-6-fluoro-7-(4-methyl-2-oxoimidazolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS: 195259-12-2
CID: 102250109
Formula: C16H16FN3O4
MW: 333.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.31
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass333.11248416
Monoisotopic Mass333.11248416
Topological Polar Surface Area90 Ų
Heavy Atom Count24
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes