Nadifloxacin Impurity A

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CAT#:1299-RM-N040601-01Size:10 mg

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CAS Number

80076-47-7

Synonyms

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

Molecular Formula

C14H11F2NO3

Molecular Weight

279.24

Target Alternative Name

Nadifloxacin

Product Name Synonym

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

Chemical Information

8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

CAS Number	80076-47-7
PubChem CID	12770922
IUPAC Name	7,8-difluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Molecular Formula	C14H11F2NO3
Molecular Weight	279.24
XLogP	3
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	493

SMILES

CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O

InChI

InChI=1S/C14H11F2NO3/c1-6-2-3-7-11(16)10(15)4-8-12(7)17(6)5-9(13(8)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)

InChIKey

XUROCEZEOCOWSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80076-47-7

CID: 12770922

Formula: C14H11F2NO3

MW: 279.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.24
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	279.07069954
Monoisotopic Mass	279.07069954
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	493
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
RG-A260506-01	Nadifloxacin
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271005-01	Gc376 Impurity 5; Nirmatrelvir Impurity
RM-R210211-01	Rivaroxaban Impurity Iv (Potential Impurity)
RM-R210212-01	Rivaroxaban Impurity V (Potential Impurity)
RM-D160722-01	Dapagliflozin Impurity POE (hydroperoxy impurity)
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity
RM-R210208-01	Rivaroxaban Impurity I (Potential Impurity)
RM-R210210-01	Rivaroxaban Impurity Iii (Potential Impurity)
RM-P180519-01	Prilocaine Impurity 19; Lidocaine Impurity A