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Marbofloxacin structure

Marbofloxacin

CAS：115550-35-1
MW:362.355563
MF：C17H19FN4O4

Fluorinated quinolone antibacterial

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Marbofloxacin

1.2 Synonyms: 2,3-Dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic Acid; 7H-1,3,4-Oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-; 7h-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylicacid,2,3-dihydro-9-fluor; 7H-Pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-; 9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[3,2,1-ij][4,1,2]benzoxadiazine-6-carboxylic acid; 9-FLUORO-2,3-DIHYDRO-3-METHYL-10-(4-METHYL-PIPERAZINO)-7-OXO-7H-PYRIDO[1,2,3-IJ][1,2,4]BENZOXADIAZINE-6-CARBOXYLIC ACID; 9-Fluoro-3,7-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic Acid; 9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid; 9-Fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid; Aurizon; CID 60651; CS-939; Marbocyl; Marbofloxacin (INN); Marbofloxacin Solution, 1000ppm; Marbofloxacin Solution, 100ppm; Marbofloxacino [INN-Spanish]; MFCD00864820; o-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-; UNII-8X09WU898T; Zeniquin;

1.3 CAS No.: 115550-35-1

1.4 CID: 60651

1.5 EINECS: 1806241-263-5

1.6 Molecular Formula: C17H19FN4O4

1.7 Inchi: InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)

1.8 InChkey: BPFYOAJNDMUVBL-UHFFFAOYSA-N

1.9 Canonical Smiles: CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F

1.10 Isomers Smiles: CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F

2. Properties

2.1 Appearance: Yellow or primrose yellow powder

2.2 Storage: -20°C Freezer, Under Inert Atmosphere

2.3 Chemical Properties: Crystalline Solid

2.4 pKa: 6.02±0.20(Predicted)

2.5 Water Solubility: Soluble in DMSO at 2mg/ml. Soluble in water or ethanol at <1mg/ml

3. Use and Manufacturing

3.1 Definition: ChEBI: A fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spectum bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood.

3.2 Description: Crystalline SolidChEBI: A fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spectum bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood.

3.3 Usage: Fluorinated quinolone antibacterial

4. Safety and Handling

4.1 Safety: Hazard Codes:?Xi
Risk Statements: 52/53-36/37/38?
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 61-36-26?
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: UU8815140

4.2 Specification: ?Mechanism of action: Marbofloxacin (CAS NO.115550-35-1) is a quinolone, and acts by inhibiting bacterial DNA replication.

4.3 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 2gm/kg (2000mg/kg)	?	United States Patent Document. Vol. #4801584,

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	none
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

7. Computed Properties

Molecular Weight：362.355563g/mol
Molecular Formula：C₁₇H₁₉FN₄O₄
Compound Is Canonicalized：True
XLogP3-AA：362.13903326
Monoisotopic Mass：362.13903326
Complexity：636
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：9
Topological Polar Surface Area：76.6
Heavy Atom Count：：26
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7uQAAAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACxAAAAHwAICAAADAzBmA4yzoMABgCIAqTWSACCDAAlIAAQiAENTMgOZj7M9Nudcahk4BHY+cea2bOeCAABAAQCEAAQAAIACAQgAAAAAAAAAA==

8.Other Information

Merck: 14,5750

Brand Name(s) in US: Zeniquin, Marbocyl

Chemical Properties: Crystalline Solid

Uses: Fluorinated quinolone antibacterial

Definition: ChEBI: A fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spect um bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood.

Usage: A broad spectrum antibiotic commonly used to target Pseudomonas and Staphylococci species

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10. Related Questions

: What are the Uses of Marbofloxacin?Overview of Marbofloxacin Marbofloxacin is a synthetic fluoroquinolone veterinary-specific antimicrobial drug with broad-spectrum antibacterial activity against both Gram-negative and Gram-positive ba..; What is Marbofloxacin and how does it work?Marbofloxacin, also known as Marbofloxacin, is a light yellow solid at room temperature and pressure. It is an effective antibiotic that can effectively inhibit bacterial DNA replication and has good ..

11. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Properties

2.1 Appearance
2.2 Storage
2.3 Chemical Properties
2.4 pKa
2.5 Water Solubility

3. Use and Manufacturing

3.1 Definition
3.2 Description
3.3 Usage

4. Safety and Handling

4.1 Safety
4.2 Specification
4.3 Toxicity

6. NMR Spectrum

7. Computational chemical data

8. Other Information

9. Toltal 171 Suppliers

10. Related Questions

11. Realated Product Infomation

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