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Lomefloxacin

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Name

Lomefloxacin

EINECS 619-317-6
CAS No. 98079-51-7 Density 1.342 g/cm3
PSA 74.57000 LogP 2.99170
Solubility Insoluble in water Melting Point 239-240 °C
Formula C17H19F2N3O3 Boiling Point 542.7 °C at 760 mmHg
Molecular Weight 387.814 Flash Point 282 °C
Transport Information N/A Appearance off-white to yellow crystals
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 98079-51-7 (Lomefloxacin) Hazard Symbols Xn,Xi
Synonyms

DM 10;DM 10 (bactericide);SC 47111A;1-Ethyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid;

Article Data 6

Lomefloxacin Specification

The CAS register number of Lomefloxacin is 98079-51-7. It also can be called as 3-quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo- and the IUPAC name about this chemical is 1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid. The molecular formula about this chemical is C17H19F2N3O3 and the molecular weight is 351.35. It belongs to the following product categories, such as Active Pharmaceutical Ingredients; Antibiotic Explorer; Peptide Synthesis/Antibiotics and so on.

Physical properties about Lomefloxacin are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): -0.75; (3)ACD/LogD (pH 7.4): -0.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.09Å2; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 85.4 cm3; (14)Molar Volume: 261.6 cm3; (15)Polarizability: 33.85x10-24cm3; (16)Surface Tension: 47.4 dyne/cm; (17)Enthalpy of Vaporization: 86.39 kJ/mol; (18)Boiling Point: 542.7 °C at 760 mmHg; (19)Vapour Pressure: 1.31E-12 mmHg at 25°C.

Use 2,3,4,5 - fluorobenzoic acid as raw materials, it reacts with thionyl chloride to produce chloride, then condensation with ethoxy diethyl malonate, then decarboxylated to produce PTFE benzoyl ethyl acetate, and reacts with original acid triacetate resin under the action of lipid condensation to get olefinic bond, and reacts with thylamine to pe=roduce generation quinoline ring cyclization derivatives, last reacts with 2 - methyl-piperazine to get Lomefloxacin.

Lomefloxacin is a fluoroquinolone antibiotic, it can be used to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and iti is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c2c(c1)C(=O)C(\C(=O)O)=C/N2CC)N3CC(NCC3)C
(2)InChI: InChI=1/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
(3)InChIKey: ZEKZLJVOYLTDKK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
(5)Std. InChIKey: ZEKZLJVOYLTDKK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 698mg/kg (698mg/kg)   Ensho. Japanese Journal of Inflammation. Vol. 11, Pg. 343, 1991.
mouse LD50 intravenous 246mg/kg (246mg/kg)   United States Patent Document. Vol. #4528287,
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4528287,
rat LD50 oral 3800mg/kg (3800mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 83, 1990.
women TDLo oral 24mg/kg/3D-I (24mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
American Journal of Psychiatry. Vol. 152, Pg. 954, 1995.

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