Enrofloxacin hydrochloride

C₁₉H₂₃ClFN₃O₃CAS 112732-17-9395.86 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₉H₂₃ClFN₃O₃
Molar mass: 395.86 g/mol
Exact mass: 395.1412 Da
logP: 2.74Crippen estimate
Polar surface area: 65.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

H411 Toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

112732-17-9

SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.Cl

InChIKey

PZJWYUDBXNNVLZ-UHFFFAOYSA-N

InChI

InChI=1S/C19H22FN3O3.ClH/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;/h9-12H,2-8H2,1H3,(H,25,26);1H

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Work with Enrofloxacin 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.

Enrofloxacin93106-60-6Free base

Similar compounds

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-977 % similar Ciprofloxacin hydrochloride anhydrous93107-08-577 % similar Ciprofloxacin hydrochloride monohydrate86393-32-073 % similar Ciprofloxacin85721-33-172 % similar Ciprofloxacin lactate97867-33-966 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-363 % similar Fluoroquinolonic acid86393-33-160 % similar Norfloxacin hydrochloride104142-93-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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