CAS No.98079-51-7,Lomefloxacin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	98079-51-7
Name:	Lomefloxacin
Article Data:	6

Formula:	C₁₇H₁₉F₂N₃O₃
Molecular Weight:	387.814
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;
EINECS:	619-317-6
Density:	1.342 g/cm³
Melting Point:	239-240 °C
Boiling Point:	542.7 °C at 760 mmHg
Flash Point:	282 °C
Solubility:	Insoluble in water	off-white to yellow crystals
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	74.57000
LogP:	2.99170

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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 C₁₇H₁₉F₂N₃O₃and 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.