Lomefloxacin Impurity 1

CAT: 1299-RM-L130364-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L130364-01Size:10 mg

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CAS Number

195259-11-1

Synonyms

8-fluoro-9- (3-methylpiperazin-1-yl) -6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid

Molecular Formula

C17H18FN3O3

Molecular Weight

331.35

Target Alternative Name

Lomefloxacin

Product Name Synonym

8-fluoro-9- (3-methylpiperazin-1-yl) -6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxylic acid

Chemical Information

Lomefloxacin Impurity N1

CAS Number	195259-11-1
PubChem CID	11110346
IUPAC Name	6-fluoro-5-(3-methylpiperazin-1-yl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid
Molecular Formula	C17H18FN3O3
Molecular Weight	331.34
XLogP	-0.3
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	596

SMILES

CC1CN(CCN1)C2=C(C=C3C4=C2CCN4C=C(C3=O)C(=O)O)F

InChI

InChI=1S/C17H18FN3O3/c1-9-7-21(5-3-19-9)15-10-2-4-20-8-12(17(23)24)16(22)11(14(10)20)6-13(15)18/h6,8-9,19H,2-5,7H2,1H3,(H,23,24)

InChIKey

KLHFNGIFCPZNFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 195259-11-1

CID: 11110346

Formula: C17H18FN3O3

MW: 331.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.34
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	331.13321961
Monoisotopic Mass	331.13321961
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	596
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