PD 135042
Grundinformationen
- CAS
112811-57-1- Standard-SMILES
COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
XJCSNIFKGXSDGN-UHFFFAOYSA-N- Summenformel
- C18H20FN3O4
- Durchschnittliche Molmasse
- 361,4 g/mol
- Monoisotopische Masse
- 361,14378434
Überblick
inhibits DNA gyrase and topoisomerase IV; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- PD 135042
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
- Englischer Name
- 1-Cyclopropyl-6-fluoro-8-Methoxy-4-oxo-7-(piperazin-1-yl)1,4-dihydroquinoline-3-carboxylic acid
- Summenformel
- C18H20FN3O4
- Molmasse
- 361.37
Namen und Synonyme
112811-57-1PD 135042BOB2CYB4VW3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(1-piperazinyl)-DTXSID70150187PD-135042RefChem:170531DTXCID70726781-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid3-Desmethyl GatifloxacinDesmethyl Gatifloxacin1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Weitere Namen anzeigen
Gatifloxacin USP RC DGatifloxacin Impurity 6Gatifloxacin Impurity DGatifloxacin Impurity 11Gatifloxacin Impurity1377Gatifloxacin USP IMpurity D
MFCD259735058-methoxyciprofloxacinPD1350423-DesmethylGatifloxacin-d8AM 11471794941-53-91-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic AcidGatifloxacin USP Related Compound D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 82,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 618
Physikochemische Eigenschaften
- Schmelzpunkt
- 197 °C · 197 °C(Solv: chloroform (67-66-3); ethanol (64-17-5))
- Siedepunkt
- 611.3 · 611.3±55.0 °C(Predicted)
- Dichte
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 6.43 · 6.43±0.50(Predicted)
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C18H20FN3O4/c1-26-17-14-11(8-13(19)15(17)21-6-4-20-5-7-21)16(23)12(18(24)25)9-22(14)10-2-3-10/h8-10,20H,2-7H2,1H3,(H,24,25)
- InChIKey
- XJCSNIFKGXSDGN-UHFFFAOYSA-N
- SMILES
- N1(C2CC2)C2=C(C=C(F)C(N3CCNCC3)=C2OC)C(=O)C(C(O)=O)=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933599550
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Anwendungen
Verwenden3-Desmethyl Gatifloxacin is an impurity of Gatifloxacin (G250000).
Zugehörige Reaktionen
10
Notizen zur Verbindung
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