Ciprofloxacin hydrochloride monohydrate

C₁₇H₂₁ClFN₃O₄CAS 86393-32-0385.82 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Secondary amine Tertiary amine

Properties

Molecular formula: C₁₇H₂₁ClFN₃O₄
Molar mass: 385.82 g/mol
Exact mass: 385.1205 Da
Melting point: 318–320 °C
logP: 1.18Crippen estimate
Polar surface area: 106.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation82.5% of notifiers
H412 Harmful to aquatic life with long lasting effects71.8% of notifiers

Aggregated from 177 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number

86393-32-0

SMILES

Cl.O.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

InChIKey

ARPUHYJMCVWYCZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2

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

Names and synonyms

2 names

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride, hydrate (1:1:1)
3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, monohydrochloride, monohydrate

Work with Ciprofloxacin hydrochloride monohydrate

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.

Ciprofloxacin hydrochloride anhydrous93107-08-5Anhydrous 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-9Anhydrous Ciprofloxacin85721-33-1Free base Ciprofloxacin lactate97867-33-9Salt

Similar compounds

Enrofloxacin hydrochloride112732-17-973 % similar 7-Chloro-1-cyclopropyl-4-oxo-6-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid133210-96-569 % similar Norfloxacin hydrochloride104142-93-069 % similar Enrofloxacin93106-60-669 % similar Sarafloxacin hydrochloride91296-87-666 % similar Norfloxacin70458-96-764 % similar 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-363 % similar Sarafloxacin98105-99-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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