Difloxacin hydrochloride

C₂₁H₂₀ClF₂N₃O₃CAS 91296-86-5435.86 g/mol

Aryl halide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₂₁H₂₀ClF₂N₃O₃
Molar mass: 435.86 g/mol
Exact mass: 435.1161 Da
logP: 3.14Crippen estimate
Polar surface area: 65.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

91296-86-5

SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl

InChIKey

JFMGBGLSDVIOHL-UHFFFAOYSA-N

InChI

InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H

Weigh it out

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

Names and synonyms

1 names

Difluoxacin hydrochloride

Work with Difloxacin hydrochloride

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.

Difloxacin98106-17-3Free base

Similar compounds

Sarafloxacin hydrochloride91296-87-680 % similar Sarafloxacin98105-99-875 % similar Pefloxacin70458-92-366 % similar Pefloxacin mesylate70458-95-658 % similar Norfloxacin hydrochloride104142-93-056 % similar Enrofloxacin hydrochloride112732-17-956 % similar 1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid149676-40-456 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-954 % similar

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

Elsewhere

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