Tosufloxacin tosylate

C26H23F3N4O6SCAS 115964-29-9576.55 g/mol

Open in Covalent MOL file
SOOOHH2NNNFOOOHNFF
Aryl halideCarboxylic acidPrimary amineSulfonic acidTertiary amine

Properties

Molecular formula
C26H23F3N4O6S
Molar mass
576.55 g/mol
Exact mass
576.1290 Da
logP
3.28Crippen estimate
Polar surface area
155.8 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
115964-29-9
SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
InChIKey
CSSQVOKOWWIUCX-UHFFFAOYSA-N
InChI
InChI=1S/C19H15F3N4O3.C7H8O3S/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate (1:1)
  • 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, mono(4-methylbenzenesulfonate)
  • T 3262
  • A 64730
  • Tosuxacin
  • Ozex

Work with Tosufloxacin tosylate

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate Tosufloxacin monohydrate107097-79-0Hydrate p-Toluenesulfonic acid104-15-4Free acid Tosufloxacin100490-36-6Free base Tosufloxacin108138-46-1Free base Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt

Similar compounds

Clinafloxacin105956-97-644 % similar Gemifloxacin mesylate210353-53-041 % similar Enoxacin74011-58-841 % similar Gemifloxacin175463-14-641 % similar Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate100491-29-040 % similar Enoxacin sesquihydrate84294-96-240 % similar Besifloxacin hydrochloride405165-61-938 % similar Difloxacin98106-17-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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