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| CAS No.: | 106017-08-7 |
|---|---|
| Name: | Rufloxacin hydrochloride |
| Molecular Structure: | |
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| 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. |