Fluoroquinolonic acid

HCID 483180CAS 86393-33-1

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Grundinformationen

Standard-SMILES: O=C(O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIKey: ISPVACVJFUIDPD-UHFFFAOYSA-N
Summenformel: C13H9ClFNO3
Durchschnittliche Molmasse: 281,66 g/mol
Monoisotopische Masse: 281,02549905

Namen und Bezeichner

Bevorzugter Name: Fluoroquinolonic acid
IUPAC: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Englischer Name: 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Summenformel: C13H9ClFNO3
Molmasse: 281.67

Namen und Synonyme

86393-33-1Fluoroquinolonic acid7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidUNII-95HKY59ZG695HKY59ZG6DTXSID9057846ENROFLOXACIN IMPURITY AEC 405-050-03-Quinolinecarboxylic acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-DTXCID0031635

Weitere Namen anzeigen

Q-ACIDFLUOROQUINOLONETIMTEC-BB SBB0030167-CHLORO-6-FLUORO-1-CYCLOPROPYL-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID7-CHLORO-1-CYCLOPROPYL-1,4-DIHYDRO-6-FLUOROQUINOL-4-ONE-3-CARBOXYLIC ACID7-CHLORO-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACIDAKOS 1131Q.Acid levo1-Ciprofloxacin

FLUOROQUINOLONIC ACID [USP-RS]FLUOROQUINOLONIC ACID [USP IMPURITY]CIPROFLOXACIN IMPURITY A [EP IMPURITY]ENROFLOXACIN FOR VETERINARY USE IMPURITY A [EP IMPURITY]7-CHLORO-1-CYCLOPROPYL-6-FLUORO-3-CARBOXY-1,4-DIHYDRO-4-OXOQUINOLINE7-CHLORO-1-CYCLOPROPYL-6-FLUOROQUINOLIN-4-ONE-3-CARBOXYLIC ACIDFLUOROQUINOLONIC ACID (USP-RS)1-CYCLOPROPYL-6-FLUORO-7-CHLORO-1,4-DIHYDRO-4-OXOQUINOLIN-3-CARBOXYLIC ACID

Datenbank-Bezeichner

CAS: 86393-33-1
PubChem CID: 483180
DTXSID: DTXSID9057846
ChEMBL: CHEMBL2260465
UNII: 95HKY59ZG6
EC Number: 405-050-0、617-846-7
Nikkaji: J668.540D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 463

Physikochemische Eigenschaften

Schmelzpunkt: 242 · 242-245 °C(lit.)
Siedepunkt: 467.3 · 467.3±45.0 °C(Predicted)
Dichte: 1.652 · 1.652±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 6.36 · 6.36±0.41(Predicted)
Aggregatzustand: Solid
Farbe: Off-White to Light Yellow
InChI: InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)
InChIKey: ISPVACVJFUIDPD-UHFFFAOYSA-N
SMILES: N1(C2CC2)C2=C(C=C(F)C(Cl)=C2)C(=O)C(C(O)=O)=C1
CAS Datenbank: 86393 · 86393-33-1(CAS DataBase Reference)