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CAS No.: | 70458-95-6 |
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Name: | Pefloxacin mesylate |
Molecular Structure: | |
Formula: | C17H20FN3O3.CH4O3S |
Molecular Weight: | 429.469 |
Synonyms: | 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, monomethanesulfonate;Pefloxacin methanesulfonate; |
EINECS: | 274-613-9 |
Density: | 1.32 g/cm3 |
Boiling Point: | 529.1 °C at 760 mmHg |
Flash Point: | 273.8 °C |
Hazard Symbols: | F, C |
Risk Codes: | 11-34 |
Safety: | 16-26-36/37/39-45 |
PSA: | 128.53000 |
LogP: | 2.19820 |
potassium tetrachloroplatinate(II)
Peflox
Conditions | Yield |
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With H2O In water room temp.; filtration, washing, drying; |
Conditions | Yield |
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With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
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With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
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With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
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With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
---|---|
With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
---|---|
With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
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With sodium hydroxide In water for 2h; Reflux; |
Conditions | Yield |
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With ammonia In methanol for 6h; pH=9; Reflux; |
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The Pefloxacin mesylate, with CAS registry number 70458-95-6, has the systematic name of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate (1:1). Its classification codes are Antibacterial and Drug / Therapeutic Agent. What's more, its EINECS is 274-613-9.
Physical properties of Pefloxacin mesylate: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.09 Å2; (13)Flash Point: 273.8 °C; (14)Enthalpy of Vaporization: 84.64 kJ/mol; (15)Boiling Point: 529.1 °C at 760 mmHg; (16)Vapour Pressure: 5.05E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCN(C)CC3)CC
(2)InChI: InChI=1/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
(3)InChIKey: HQQSBEDKMRHYME-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)
(5)Std. InChIKey: HQQSBEDKMRHYME-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 225mg/kg (225mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 292, Pg. 37, 1981. |
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 292, Pg. 37, 1981. |
rat | LD50 | intraperitoneal | 1500mg/kg (1500mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 292, Pg. 37, 1981. |
rat | LD50 | oral | 2500mg/kg (2500mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 292, Pg. 37, 1981. |