Grundinformationen
- Standard-SMILES
NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1- InChIKey
WUWFMDMBOJLQIV-UHFFFAOYSA-N- Summenformel
- C19H15F3N4O3
- Durchschnittliche Molmasse
- 404,3 g/mol
- Monoisotopische Masse
- 404,109625
Überblick
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid is a 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 3-aminopyrrolidin-1-yl substituents at positions 1, 6 and 7 respectively. It is a monocarboxylic acid, an amino acid, an organofluorine compound, an aminopyrrolidine, a primary amino compound, a tertiary amino compound, a 1,8-naphthyridine derivative and a quinolone antibiotic. It is a conjugate base of a 1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium.
Namen und Bezeichner
- Bevorzugter Name
- Tosufloxacin
- IUPAC
- 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- Englischer Name
- TOSUFLOXACIN TOSILATE
- Summenformel
- C19H15F3N4O3
- Molmasse
- 404.34
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
100490-36-6、1400591-39-0- PubChem CID
- 5517
- DTXSID
DTXSID2044135- ChEMBL
CHEMBL273348- ChEBI
CHEBI:77581- UNII
- GHJ553KQPS
- Nikkaji
- J243.072J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 99,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 708
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use
Pharmaceuticals -> Antibiotics
Physikochemische Eigenschaften
- Siedepunkt
- 614.4 · 614.4±55.0 °C(Predicted)
- Dichte
- 1.558 · 1.558±0.06 g/cm3(Predicted)
- pka
- 5.79 · 5.79±0.70(Predicted)
- InChI
- InChI=1S/C19H15F3N4O3/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/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)
- InChIKey
- WUWFMDMBOJLQIV-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=C(F)C=C2F)C2C(=CC(F)=C(N3CCC(N)C3)N=2)C(=O)C(C(O)=O)=C1
- CAS Datenbank
- 100490 · 100490-36-6(CAS DataBase Reference)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
S - Sensory organs
J - Antiinfectives for systemic use
QS - Sensory organs
QJ - Antiinfectives for systemic use
Anwendungen
VerwendenTosufloxacin Tosilate (CAS# 100490-36-6) was identified in a Haemophilus influenza clone ST422.
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