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CAS No.: | 115964-29-9 |
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Name: | Tosufloxacin tosylate |
Molecular Structure: | |
Formula: | C19H15F3N4O3.C7H8O3S |
Molecular Weight: | 576.553 |
Synonyms: | T 3262;A 64730;1,8-Naphthyridine-3-carboxylic acid,7-(3-amino-1-pyrrolidinyl)-1-(2,4- difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-,mono(4-methylbenzenesulfonate);Tosuxacin;Tosufloxacin tosilate; |
Density: | 1.558g/cm3 |
Melting Point: | 251-252 °C |
Boiling Point: | 614.4 °C at 760 mmHg |
Flash Point: | 325.4 °C |
Appearance: | White to off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 164.20000 |
LogP: | 5.12640 |
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Tosufloxacin tosylate, with CAS number of 115964-29-9, has other registry number which is 144742-63-2. It is also known as A 64730; T 3262; Tosuxacin; UNII-NO6NM634EH; 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, mono(4-methylbenzenesulfonate). Its systematic name is called 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate (1:1). This chemical belongs to the classes of Antibiotics for Research and Experimental Use; Biochemistry; Quinolones (Antibiotics for Research and Experimental Use); Intermediates & Fine Chemicals; Pharmaceuticals. This compound has been used as a therapeutic antimicrobial for the treatment of respiratory infections.
Physical properties about this chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.98 Å2; (13)Flash Point: 325.4 °C; (14)Enthalpy of Vaporization: 95.85 kJ/mol; (15)Boiling Point: 614.4 °C at 760 mmHg; (16)Vapour Pressure: 5.96E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)C.Fc4ccc(N/2c1nc(c(F)cc1C(=O)C(\C(=O)O)=C\2)N3CCC(N)C3)c(F)c4;
(2)InChI: InChI=1/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);
(3)InChIKey: CSSQVOKOWWIUCX-UHFFFAOYAN
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 3gm/kg (3000mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Chemotherapy Vol. 36(Suppl, |
mouse | LD50 | intraperitoneal | > 6gm/kg (6000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 36(Suppl, |
mouse | LD50 | intravenous | 196mg/kg (196mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Chemotherapy Vol. 36(Suppl, |
mouse | LD50 | oral | > 6gm/kg (6000mg/kg) | Chemotherapy Vol. 36(Suppl, | |
mouse | LD50 | subcutaneous | > 6gm/kg (6000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Chemotherapy Vol. 36(Suppl, |
rat | LD50 | intraperitoneal | > 6gm/kg (6000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Chemotherapy Vol. 36(Suppl, |
rat | LD50 | intravenous | 270mg/kg (270mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Chemotherapy Vol. 36(Suppl, |
rat | LD50 | oral | > 6gm/kg (6000mg/kg) | Chemotherapy Vol. 36(Suppl, | |
rat | LD50 | subcutaneous | > 6gm/kg (6000mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Chemotherapy Vol. 36(Suppl, |