Marbofloxacin EP Impurity B

CAT: 1299-RM-M011802-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M011802-01Size:10 mg

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CAS Number

115551-41-2

Synonyms

9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid

Molecular Formula

C12H8F2N2O4

Molecular Weight

282.2

Target Alternative Name

Marbofloxacin

Product Name Synonym

9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid

Chemical Information

Marbofloxacin Impurity B

CAS Number	115551-41-2
PubChem CID	14576604
IUPAC Name	6,7-difluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Formula	C12H8F2N2O4
Molecular Weight	282.20
XLogP	0
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	498

SMILES

CN1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O

InChI

InChI=1S/C12H8F2N2O4/c1-15-4-20-11-8(14)7(13)2-5-9(11)16(15)3-6(10(5)17)12(18)19/h2-3H,4H2,1H3,(H,18,19)

InChIKey

YCFVEYBFZJOXFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115551-41-2

CID: 14576604

Formula: C12H8F2N2O4

MW: 282.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.20
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	282.04521306
Monoisotopic Mass	282.04521306
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	498
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-M011801-01	Marbofloxacin EP Impurity A
RM-M011806-01	Marbofloxacin EP Impurity F
RM-M011804-01	Marbofloxacin EP Impurity D
RM-M011803-01	Marbofloxacin EP Impurity C
RM-M011805-01	Marbofloxacin EP Impurity E
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B
RM-C061202-01	Cefalexin EP Impurity B; Cefadroxil EP Impurity B; Cefradine EP Impurity A
RM-O132302-01	Omeprazole EP Impurity B; Esomeprazole EP Impurity B
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B
RM-T081502-01	Theophylline EP Impurity B; Pentoxifylline EP Impurity B