Grundinformationen
- Standard-SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21- InChIKey
WNNSMMJBBOPPOT-UHFFFAOYSA-N- Summenformel
- C12H9ClFNO3
- Durchschnittliche Molmasse
- 269,65 g/mol
- Monoisotopische Masse
- 269,02549905
Namen und Bezeichner
- Bevorzugter Name
- 7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
- Englischer Name
- 1-Ethyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- Summenformel
- C12H9ClFNO3
- Molmasse
- 269.66
Namen und Synonyme
68077-26-97-chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidNorfloxacin impurity A7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 7-chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-831B5OC9PQCGA-78039Norfloxacin impurity A [EP]DTXSID90333112NORFLOXACIN IMPURITY A [EP IMPURITY]M-193324NORFLOXACIN IMPURITY A (EP IMPURITY)
Weitere Namen anzeigen
Norfloxacin Q-AcidNORF-007AKOS 1303TIMTEC-BB SBB003042Norfloxacin EP Imp ANorfloxacin ImpurityⅠNorfloxacin Impurity 11Norfloxacincarboxylicacid
RefChem:546022DTXCID20208728614-262-41-ETHYL-7-CHLORO-6-FLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID7-Chloro-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidNorfloxacin EP Impurity AMFCD00792459C12H9ClFNO3
Datenbank-Bezeichner
- CAS
68077-26-9- PubChem CID
- 483169
- DTXSID
DTXSID90333112- ChEMBL
CHEMBL29989- UNII
- 831B5OC9PQ
- EC Number
- 614-262-4
- Nikkaji
- J94.731H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 412
Physikochemische Eigenschaften
- Schmelzpunkt
- 245 °C · 245°C
- Siedepunkt
- 437.9 · 437.9±45.0 °C(Predicted)
- Dichte
- 1.3905 · 1.3905 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- Aggregatzustand
- powder
- pka
- -0.21 · -0.21±0.20(Predicted)
- Farbe
- White to Pale Yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C12H9ClFNO3/c1-2-15-5-7(12(17)18)11(16)6-3-9(14)8(13)4-10(6)15/h3-5H,2H2,1H3,(H,17,18)/p-1
- InChIKey
- WNNSMMJBBOPPOT-UHFFFAOYSA-N
- SMILES
- Fc1cc2c(cc1Cl)N(C=C(C2=O)C(=O)[O-])CC
- CAS Datenbank
- 68077 · 68077-26-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Sicherheitsdaten
- hs_code
- 2933599550
- risk_code
- 52/53
- safety_code
- 61
- hazard_class
- IRRITANT
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