Product Name

  • Name

    Pefloxacin mesylate

  • EINECS 274-613-9
  • CAS No. 70458-95-6
  • Density 1.32 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H20FN3O3.CH4O3S
  • Boiling Point 529.1 °C at 760 mmHg
  • Molecular Weight 429.469
  • Flash Point 273.8 °C
  • Transport Information
  • Appearance
  • Safety 16-26-36/37/39-45
  • Risk Codes 11-34
  • Molecular Structure Molecular Structure of 70458-95-6 (Pefloxacin mesylate)
  • Hazard Symbols FlammableF, CorrosiveC
  • Synonyms 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, monomethanesulfonate;Pefloxacin methanesulfonate;
  • PSA 128.53000
  • LogP 2.19820

Synthetic route

potassium tetrachloroplatinate(II)
10025-99-7

potassium tetrachloroplatinate(II)

Peflox
70458-95-6

Peflox

bis{4-(3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)-1-methylpiperazinium} tetrachloroplatinate(II) dihydrate

bis{4-(3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolyl)-1-methylpiperazinium} tetrachloroplatinate(II) dihydrate

Conditions
ConditionsYield
With H2O In water room temp.; filtration, washing, drying;
1H-imidazole
288-32-4

1H-imidazole

cobalt(II) chloride hexahydrate

cobalt(II) chloride hexahydrate

Peflox
70458-95-6

Peflox

C20H27ClCoFN5O5

C20H27ClCoFN5O5

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

copper(II) choride dihydrate

copper(II) choride dihydrate

Peflox
70458-95-6

Peflox

C20H23ClCuFN5O3*2.5H2O

C20H23ClCuFN5O3*2.5H2O

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

Peflox
70458-95-6

Peflox

C20H23ClFN5NiO3*H2O

C20H23ClFN5NiO3*H2O

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

chromium(III) chloride hexahydrate

chromium(III) chloride hexahydrate

Peflox
70458-95-6

Peflox

C20H25Cl2CrFN5O4

C20H25Cl2CrFN5O4

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

Peflox
70458-95-6

Peflox

zinc(II) chloride
7646-85-7

zinc(II) chloride

C20H27ClFN5O5Zn*0.25H2O

C20H27ClFN5O5Zn*0.25H2O

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

manganese(II) chloride tetrahydrate

manganese(II) chloride tetrahydrate

Peflox
70458-95-6

Peflox

C20H23ClFMnN5O3

C20H23ClFMnN5O3

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
1H-imidazole
288-32-4

1H-imidazole

Peflox
70458-95-6

Peflox

silver nitrate

silver nitrate

[Ag(pefloxacin)(imidazole)].2H2O

[Ag(pefloxacin)(imidazole)].2H2O

Conditions
ConditionsYield
With sodium hydroxide In water for 2h; Reflux;
...Expand
Peflox
70458-95-6

Peflox

palladium dichloride

palladium dichloride

Pd(PFX)2

Pd(PFX)2

Conditions
ConditionsYield
With ammonia In methanol for 6h; pH=9; Reflux;

Pefloxacin mesylate Specification

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.

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