8-Hydroxy-5-nitroquinoline - CAS 4008-48-4
Catalog: |
BB024297 |
Product Name: |
8-Hydroxy-5-nitroquinoline |
CAS: |
4008-48-4 |
Synonyms: |
5-nitroquinolin-8-ol |
Application: |
An antibiotic |
IUPAC Name: | 5-nitroquinolin-8-ol |
Description: | Nitroxoline is a urinary antibacterial agent had proven to be very effective at combating biofilm infections. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H |
InChI Key: | RJIWZDNTCBHXAL-UHFFFAOYSA-N |
Boiling Point: | 419 °C at 760 mmHg |
Melting Point: | 181-183 °C |
Purity: | ≥ 95 % |
Density: | 1.496 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Ochre-yellow to brownish crystalline powder |
Storage: | Store at 2-8 °C |
MDL: | MFCD00006791 |
LogP: | 2.37180 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H301+H311+H331 (65.96%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
31638783 | 20191118 | Repurposing of Nitroxoline Drug for the Prevention of Neurodegeneration | Chemical research in toxicology |
30184207 | 20181101 | Review of the pharmacokinetic properties of nitrofurantoin and nitroxoline | The Journal of antimicrobial chemotherapy |
22728969 | 20121001 | Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22695927 | 20120901 | Synthesis and characterization of 8-hydroxyquinoline complexes of tin(IV) and their application in organic light emitting diode | Journal of fluorescence |
22391578 | 20120421 | Substituted oxines inhibit endothelial cell proliferation and angiogenesis | Organic & biomolecular chemistry |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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