Pefloxacin

C17H20FN3O3CAS 70458-92-3333.36 g/mol

Open in Covalent MOL file
NOOHOFNN
Aryl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C17H20FN3O3
Molar mass
333.36 g/mol
Exact mass
333.1489 Da
Melting point
271 °C (decomposes)
logP
1.61Crippen estimate
Polar surface area
65.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
70458-92-3
SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
InChIKey
FHFYDNQZQSQIAI-UHFFFAOYSA-N
InChI
InChI=1S/C17H20FN3O3/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/h8-10H,3-7H2,1-2H3,(H,23,24)

Weigh it out

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

Names and synonyms

17 names · show all
  • 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
  • 1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
  • 1584RB
  • Pefloxacine
  • AM 725
  • Peflacine
  • N′-Methylnorfloxacin
  • Abaktal
  • Abactal
  • 1589RB
  • EU 5306
  • Pelox
  • Perti
  • Pefbid
  • Globacin
  • Perflacin
  • 1-Ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Work with Pefloxacin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pefloxacin mesylate70458-95-6Salt 1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid149676-40-4Salt

Similar compounds

Norfloxacin70458-96-779 % similar Norfloxacin hydrochloride104142-93-075 % similar Difloxacin98106-17-369 % similar Difloxacin hydrochloride91296-86-566 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-966 % similar Norfloxacin nicotinate118803-81-964 % similar Enrofloxacin93106-60-660 % similar Enrofloxacin hydrochloride112732-17-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook