1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HCID 5210422CAS 93107-30-3
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
O=C(O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIKey
KNEXGVPHPGXAGF-UHFFFAOYSA-N
Summenformel
C13H9F2NO3
Durchschnittliche Molmasse
265,21 g/mol
Monoisotopische Masse
265,05504947

Namen und Bezeichner

Bevorzugter Name
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
IUPAC
1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
Englischer Name
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid
Summenformel
C13H9F2NO3
Molmasse
265.21

Namen und Synonyme

93107-30-31-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acidEC 413-760-7RefChem:431949413-760-71-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMFCD016463751-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid6,7-Difluoro-4-oxo-1-cyclopropyl-1,4-dihydro-quinoline-3-carboxylic acid1-CYCLOPROPYL-1,4-DIHYDRO-6,7-DIFLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid
Weitere Namen anzeigen
14002-6N7-difluoro-4-oxo-1Valine Impurity 125Ciprofloxacin IntermediateCIPROFLOXACIN CARBOXYLIC ACIDMoxifloxacin Difluoro Acid ImpurityBexifloxacin hydrochloride intermediate *1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carb...
1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicAcid1 -cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-Cyclorpropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinoline Carboxylic Acid6,7-difluoro-1-cyclopropyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acidMoxifloxacin Impurity 243-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-; 1-cyclopropyl-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic AcidSCHEMBL501238

Datenbank-Bezeichner

CAS
93107-30-3
PubChem CID
5210422
DTXSID
DTXSID40869113
ChEMBL
CHEMBL4204733
EC Number
413-760-7
Nikkaji
J547.561I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
57,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
289 °C · 289°C(lit.)
Siedepunkt
434.2 · 434.2±45.0 °C(Predicted)
Dichte
1.63 · 1.630±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
DMSO
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H361f ***: Suspected of damaging fertility [Warning Reproductive toxicity]；H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Warning

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 10-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8484
Hazard Classes and Categories · 3 Einträge

Repr. 2 (97%)；Aquatic Chronic 3 (97%)

Reproductive toxicity - category 2；Hazardous to the aquatic environment (chronic) - category 3

Repr. 2；Aquatic Chronic 3

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 10-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8484

Sicherheitsdaten

hs_code
2933.49.7000
risk_code
62-52/53
hazard_code
Xn
safety_code
22-36/37-61

Chemie und Industrie

Anwendungen

Verwenden1-Cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid is a metabolite of Moxifloxacin (M745000) and is used in the synthesis of chiral aminopiperidinyl quinolones as potent antibacterial agents against resistant pathogens.

Vor- und nachgelagerte Produkte

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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