Danofloxacin mesylate

C₂₀H₂₄FN₃O₆SCAS 119478-55-6453.49 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonic acid Tertiary amine

Properties

Molecular formula: C₂₀H₂₄FN₃O₆S
Molar mass: 453.49 g/mol
Exact mass: 453.1370 Da
logP: 1.57Crippen estimate
Polar surface area: 120.1 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P273, P319, P501

Identifiers

CAS number

119478-55-6

SMILES

CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O

InChIKey

APFDJSVKQNSTKF-FXMYHANSSA-N

InChI

InChI=1S/C19H20FN3O3.CH4O3S/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10;1-5(2,3)4/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26);1H3,(H,2,3,4)/t11-,12-;/m0./s1

Weigh it out

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

Work with Danofloxacin 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.

Methanesulfonic acid75-75-2Free acid Danofloxacin112398-08-0Free 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 Phentolamine methanesulfonate65-28-1Salt

Similar compounds

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid93107-30-355 % similar Ciprofloxacin85721-33-155 % similar Enrofloxacin93106-60-654 % similar Fluoroquinolonic acid86393-33-153 % similar 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)86483-48-953 % similar Ciprofloxacin hydrochloride anhydrous93107-08-553 % similar Enrofloxacin hydrochloride112732-17-952 % similar Ciprofloxacin hydrochloride monohydrate86393-32-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook