1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 11680737CAS 154093-72-8

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Grundinformationen

Standard-SMILES: O=C(O)c1cn(C2CC2)c2c(O)c(F)c(F)cc2c1=O
InChIKey: NTWOKQCCNHKEIU-UHFFFAOYSA-N
Summenformel: C13H9F2NO4
Durchschnittliche Molmasse: 281,21 g/mol
Monoisotopische Masse: 281,04996421

Namen und Bezeichner

Bevorzugter Name: 1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 1-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid
Englischer Name: 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid
Summenformel: C13H9F2NO4
Molmasse: 281.21

Namen und Synonyme

154093-72-81-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic AcidYQE3ANK2UIDifluorohydroxy compound [USP]DTXSID50470532DIFLUOROHYDROXY COMPOUND [USP IMPURITY]3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-Difluorohydroxy compound (USP)DIFLUOROHYDROXY COMPOUND (USP IMPURITY)RefChem:431951DTXCID80421350

Weitere Namen anzeigen

Gatifloxacin USP RC BMoxifloxacin Impurity 231-cyclopropyl-6,7-difluoroGatifloxacin USP IMpurity BDifluorohydroxy gatifloxacinGatifloxacin hydroxy acid impurityMoxifloxacin Difluoro Hydroxy ImpurityMoxifloxacin hydroxyquinoline impurities

895-837-9MFCD259735061-cyclopropyl-6,7-difluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-6,7-difluoro-8-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacidDiketopiperazine; 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic acid; 1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-hydroxy-4-oxo-3-quinolinecarboxylic Acid (8-Hydroxyquinolonic Acid)Mosisasin Impurity E2UNII-YQE3ANK2UIMoxifloxacin Impurity 81

Datenbank-Bezeichner

CAS: 154093-72-8
PubChem CID: 11680737
DTXSID: DTXSID50470532
UNII: YQE3ANK2UI
EC Number: 895-837-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 20
Formalladung: 0
Komplexität: 491

Physikochemische Eigenschaften

Schmelzpunkt: 271 oC · >271oC (dec.)
Siedepunkt: 478.3 · 478.3±45.0 °C(Predicted)
Dichte: 1.745 · 1.745±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
pka: 5.75 · 5.75±0.20(Predicted)
Aggregatzustand: Solid
Farbe: White to Pale Beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.