chempirical

Pefloxacin mesylate

C18H24FN3O6SCAS 70458-95-6429.46 g/mol

Open in Covalent MOL file
NOOHOFNNSOOOH
Aryl halideCarboxylic acidSulfonic acidTertiary amine

Properties

Molecular formula
C18H24FN3O6S
Molar mass
429.46 g/mol
Exact mass
429.1370 Da
logP
1.11Crippen estimate
Polar surface area
120.2 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
70458-95-6
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21.CS(=O)(=O)O
InChIKey
HQQSBEDKMRHYME-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, methanesulfonate (1:1)
  • 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, monomethanesulfonate
  • Pefloxacin methanesulfonate
  • 41-982RP
  • Peflacin

Work with Pefloxacin mesylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pefloxacin70458-92-385 % similar Norfloxacin70458-96-769 % similar Norfloxacin hydrochloride104142-93-066 % similar Difloxacin98106-17-360 % similar Norfloxacin nicotinate118803-81-957 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-957 % similar Danofloxacin mesylate119478-55-654 % similar Enrofloxacin93106-60-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook