Pefloxacin mesylate

C₁₈H₂₄FN₃O₆SCAS 70458-95-6429.46 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonic acid Tertiary 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 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation20% of notifiers
H360 May damage fertility or the unborn child20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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.

1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid149676-40-4Hydrate Methanesulfonic acid75-75-2Free acid Pefloxacin70458-92-3Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt

Similar compounds

Norfloxacin70458-96-769 % similar Norfloxacin hydrochloride104142-93-066 % similar Difloxacin98106-17-360 % similar Difloxacin hydrochloride91296-86-558 % similar Norfloxacin nicotinate118803-81-957 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-957 % similar Enrofloxacin93106-60-653 % similar Enrofloxacin hydrochloride112732-17-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook