Grepafloxacin

GREPAFLOXACIN · dl-Grepafloxacin · Grepafloxacin USP/EP/BP · Grepafloxacin/OPC-17116/dl-Grepafloxacin · 1-Cyclopropyl-6-fluoro-7-(3-methyl-1-piperazinyl)-5-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

https://huagongshe.com/de/chemical/72474

Identifikatoren & physikalische Daten

CAS No.	119914-60-2
Summenformel	C19H22FN3O3
Durchschnittliche Molmasse	359,4 g/mol
Monoisotopische Masse	359,16451978 g/mol
SMILES	Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
InChIKey	AIJTTZAVMXIJGM-UHFFFAOYSA-N
PubChem CID	72474
ChEMBL	CHEMBL583
ChEBI	CHEBI:5543
EC No.	631-454-3
DTXSID	DTXSID2048321

Chemische & physikalische Eigenschaften

XLogP	-0,2
Polarare Oberfläche (TPSA)	72,9
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	3
Schwere Atome	26
Formalladung	0
Komplexität	636
Arzneimittel	Pharmaceuticals -> AntibioticsPharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use
LogP (Verteilungskoeffizient)	2.9
Löslichkeit	6.32e-01 g/LDMSO (Slightly), Methanol (Slightly)
Human Drugs	Pharmaceuticals
Physical Description	Solid
Schmelzpunkt	189-192 ºC
Siedepunkt	610.0±55.0 °C(Predicted)
Dichte	1.366
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	Solid
pKa (Säurekonstante)	6.44±0.50(Predicted)
Farbe	Pale Beige to Pale Yellow
Stabilität	Hygroscopic
CAS Datenbank	119914-60-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 3 (100%)
Alarmwort	Achtung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H301

Anwendungen & Verwendung

Verwenden

dl-Grepafloxacin is an antibacterial compound used to treat various respirator infections.