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106017-08-7

Basic Information
CAS No.: 106017-08-7
Name: Rufloxacin hydrochloride
Article Data: 6
Molecular Structure:
Molecular Structure of 106017-08-7 (Rufloxacin hydrochloride)
Formula: C17H18FN3O3S.HCl
Molecular Weight: 399.874
Synonyms: 7H-Pyrido[1,2,3-de]-1,4-benzothiazine-6-carboxylicacid, 9-fluoro-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-,monohydrochloride (9CI);ISF 09334;Monos;Qari;Rufloxacin hydrochloride;Tebraxin;
Melting Point: 322-324 °C
Boiling Point: 574.6 °C at 760 mmHg
Flash Point: 301.3 °C
PSA: 91.08000
LogP: 2.50120
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Specification

The Rufloxacin hydrochloride, with the CAS register number 106017-08-7, has the systematic name of 9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic acid hydrochloride (1:1). Besides, it has other names as rufloxacin hcl; rufloxacin hydrochloride; 7h-pyrido(1,2,3-de)(1,4)benzothiazine-6-carboxylicacid,2,3-dihydro-9-fluoro-1; mf 934; rufloxacinhydrochloride(subjecttopatentfree); 2,3-dihydro-9-fluoro-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido[1,2,3-de][1,4]benzothiazine-6-carboxylic acid hydrochloride.

The physical characteristics could be summarized as: (1)ACD/LogP: 1.48; (2)ACD/LogD(pH5.5): -0.13; (3)ACD/LogD(pH7.4): -0.69; (4)ACD/BCF(pH5.5): 1; (5)ACD/BCF(pH7.4): 1; (6)ACD/KOC(pH5.5): 3.7; (7)ACD/KOC(pH7.4): 1.03; (8)#Hbondacceptors: 6; (9)#Hbonddonors: 1; (10)#FreelyRotatingBonds: 2; (11)PolarSurfaceArea: 78.39; (12)FlashPoint: 301.3°C; (13)EnthalpyofVaporization: 90.56kJ/mol; (14)BoilingPoint: 574.6°Cat760mmHg; (15)VapourPressure: 4.81E-14mmHgat25°C.

As for its usage, it is usually used for the drug / therapeutic agent, such as for curing the infection of the escherichia coli, shigella dysenteriae and Bacillus influenzae. Besides, its preparation products belong to the category of rufloxacin.

In addition, you could refer to the following data information to get the molecular structure:
SMILES:Cl.Fc4cc1c2N(/C=C(\C1=O)C(=O)O)CCSc2c4N3CCN(C)CC3
InChI:InChI=1/C17H18FN3O3S.ClH/c1-19-2-4-20(5-3-19)14-12(18)8-10-13-16(14)25-7-6-21(13)9-11(15(10)22)17(23)24;/h8-9H,2-7H2,1H3,(H,23,24);1H
InChIKey:LPQOADBMXVRBNX-UHFFFAOYAF

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 224mg/kg (224mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 465, 1987.
rabbit LD50 oral 660mg/kg (660mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 465, 1987.
rat LD50 intravenous 285mg/kg (285mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 465, 1987.
rat LD50 oral 501mg/kg (501mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 465, 1987.