9-fluoro-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylate
Basic information
- CAS
101363-10-4- Standard SMILES
C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2SCC4)CC1- InChIKey
NJCJBUHJQLFDSW-UHFFFAOYSA-N- Molecular formula
- C17H18FN3O3S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.10529078
Overview
Rufloxacin is a quinolone antibiotic.
Names & identifiers
- Preferred name
- 9-fluoro-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylate
- IUPAC
- 7-fluoro-6-(4-methylpiperazin-4-ium-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
- English name
- RUFLOXACIN
- Molecular formula
- C17H18FN3O3S
- Molecular weight
- 363.41
Names & synonyms
STK566822AKOS0054927599-fluoro-10-(4-methylpiperazin-4-ium-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylateQariMonesTebraxinISF-09334RUFLOXACIN4]thiazino[2AKOS NCG1-00683-dihydro-7H-[1RUFLOXACIN USP/EP/BP
Show more names
4-ij]quinoline-6-carboxylic acid
Database identifiers
- CAS
101363-10-4- PubChem CID
- 4979271
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Boiling point
- 574.6 · 574.6±50.0 °C(Predicted)
- Density
- 1.54 · 1.54
- storage temp.
- 2 · 2-8°C
- pka
- 5.21 · 5.21±0.20(Predicted)
- CAS DataBase Reference
- 101363 · 101363-10-4
- FDA UNII
- 521 XM2900 · Y521XM2900
- ATC code
- 1 MA10 · J01MA10
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Mechanism of ActionRufloxacin is a fluoroquinolone antibacterial that inhibits bacterial DNA gyrase, blocking DNA supercoiling and replication.
Upstream & downstream products
Upstream raw materials
Additional notes
ChEBI: Rufloxacin is a member of quinolines, a quinolone antibiotic and a fluoroquinolone antibiotic.
Suppliers
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Compound notes
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