1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate, hydrate (1:1:?)
Basic information
- CAS
1400591-39-0- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O- InChIKey
SSULTCPIIYRGFQ-UHFFFAOYSA-N- Molecular formula
- C26H25F3N4O7S
- Average molar mass
- 594.6 g/mol
- Monoisotopic mass
- 594.13960481
Overview
Tosufloxacin tosylate hydrate is a racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate. It has a role as an antimicrobial agent, an antiinfective agent, a hepatotoxic agent, a topoisomerase IV inhibitor and a DNA synthesis inhibitor. It contains a (S)-tosufloxacin tosylate hydrate, a (R)-tosufloxacin tosylate hydrate and a tosufloxacin tosylate.
Names & identifiers
- Preferred name
- 1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate, hydrate (1:1:?)
- IUPAC
- 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrate
- English name
- Tosufloxacin p-Toluenesulfonate Hydrate
- Molecular formula
- C26H23F3N4O6S
- Molecular weight
- 576.55
Names & synonyms
1400591-39-0RefChem:1053598DTXSID0010830971,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate, hydrate (1:1:?)Tosufloxacin tosylate hydratetosufloxacin tosilateTosufloxacin p-toluenesulfonate hydrateTosuxacinTosufloxacin Toluenesulfonate HydrateOzexTosufloxacin tosylate monohydrateMFCD00873760
Show more names
T-3262 Tosylate HydrateA-61827 tosylate hydrateTosufloxacin tosylate hydrate, 10 mM in DMSOTosufloxacin tosylate hydrate (T3262, A61827)Tosufloxacin toluenesulfonate hydrate - Bio-X ?1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, 4-methylbenzenesulfonate, hydrate (1:1:)
5L69LG8ZDQTosufloxacin (tosylate hydrate)7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid;hydrateTosufloxacin tosilate monohydrate2096460-23-8A-64730tosufloxacin tosilate hydrate7-(3-Aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid compound with 4-methylbenzenesulfonic acid (1:1) hydrate
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 915
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 33 mg/mL · DMSO : ≥ 33 mg/mL (55.50 mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 5 L69LG8ZDQ · 5L69LG8ZDQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RTECS
- 2791000 · QN2791000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- QN2791000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTosufloxacin tosylate hydrate (A-61827) is an orally active fluoroquinolone antibiotic. Tosufloxacin shows a broad spectrum of antibacterial activity against gram-positive and gram-negative bacteria[1][2].
Additional notes
DefinitionChEBI: A racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…