Marbofloxacin EP Impurity D

CAT: 1299-RM-M011804-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M011804-01Size:10 mg

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CAS Number

117380-92-4

Synonyms

6-fluoro-8-hydroxy-1- (methylamino) -7- (4-methylpiperazin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Molecular Formula

C16H19FN4O4

Molecular Weight

350.34

Target Alternative Name

Marbofloxacin

Product Name Synonym

6-fluoro-8-hydroxy-1- (methylamino) -7- (4-methylpiperazin-1-yl) -4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Chemical Information

Marbofloxacin Impurity D

CAS Number	117380-92-4
PubChem CID	53722968
IUPAC Name	6-fluoro-8-hydroxy-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular Formula	C16H19FN4O4
Molecular Weight	350.34
XLogP	-0.6
Topological Polar Surface Area	96.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	578

SMILES

CNN1C=C(C(=O)C2=CC(=C(C(=C21)O)N3CCN(CC3)C)F)C(=O)O

InChI

InChI=1S/C16H19FN4O4/c1-18-21-8-10(16(24)25)14(22)9-7-11(17)13(15(23)12(9)21)20-5-3-19(2)4-6-20/h7-8,18,23H,3-6H2,1-2H3,(H,24,25)

InChIKey

CIMYGCZMOFJQET-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117380-92-4

CID: 53722968

Formula: C16H19FN4O4

MW: 350.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.34
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	350.13903326
Monoisotopic Mass	350.13903326
Topological Polar Surface Area	96.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	578
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-M011803-01	Marbofloxacin EP Impurity C
RM-M011802-01	Marbofloxacin EP Impurity B
RM-M011805-01	Marbofloxacin EP Impurity E
RM-L202404-01	Levothyroxine EP Impurity D; Liothyronine EP Impurity D
RM-O132304-01	Omeprazole EP Impurity D; Esomeprazole EP Impurity D
RM-I161504-01	Isotretinoin EP Impurity D; Tretinoin EP Impurity D
RM-C201214-01	Citalopram EP Impurity D; Escitalopram EP Impurity D
RM-L010306-01	Topiramate EP Impurity E; Lactulose EP Impurity D; Glucose EP Impurity D