Buquinolate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Buquinolate
- DrugBank Accession Number
- DB11378
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Vet approved
- Structure
- Weight
- Average: 361.438
Monoisotopic: 361.188922973 - Chemical Formula
- C20H27NO5
- Synonyms
- Buquinolate
- Buquinolato
- Buquinolatum
- External IDs
- EU 1093
- EU-1093
- U 1093
- VUFB 4824
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Quinolones and derivatives
- Direct Parent
- Hydroquinolones
- Alternative Parents
- Hydroquinolines / Pyridinecarboxylic acids / Alkyl aryl ethers / Benzenoids / Vinylogous amides / Heteroaromatic compounds / Carboxylic acid esters / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid derivative / Carboxylic acid ester / Dihydroquinoline / Dihydroquinolone / Ether / Heteroaromatic compound show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MFL71K7PU4
- CAS number
- 5486-03-3
- InChI Key
- LVVXOXRUTDAKFE-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H27NO5/c1-6-24-20(23)15-9-21-16-8-18(26-11-13(4)5)17(25-10-12(2)3)7-14(16)19(15)22/h7-9,12-13H,6,10-11H2,1-5H3,(H,21,22)
- IUPAC Name
- ethyl 6,7-bis(2-methylpropoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate
- SMILES
- CCOC(=O)C1=CNC2=CC(OCC(C)C)=C(OCC(C)C)C=C2C1=O
References
- General References
- Edgar SA, Flanagan C: Coccidiostatic effects of buquinolate in poultry. Poult Sci. 1968 Jan;47(1):95-104. [Article]
- Engle AT, Humphrey RP, Johnson CA: Buquinolate, a new broad spectrum coccidiostat. Poult Sci. 1967 Jul;46(4):810-8. [Article]
- Leathem WD: Buquinolate and immunization to Eimeria acervulina. Poult Sci. 1973 Jul;52(4):1468-72. [Article]
- Sadler CR, Day EJ, French JE: Efficacy of buquinolate against artificial coccidiosis infection in broiler chickens. Poult Sci. 1968 Nov;47(6):1917-21. [Article]
- Leathem WD, Kohls RE: Acquired immunity of buquinolate-medicated chickens to Eimeria tenella infection. Poult Sci. 1971 Sep;50(5):1492-5. [Article]
- Borgmann AR, Levin RA, Gilbert DL, Cooley R, Prytherch JP: Safety of buquinolate in poultry and small animals. Toxicol Appl Pharmacol. 1967 Jul;11(1):1-11. [Article]
- Eckman MK, Kohls RE, Humphrey RP: Relationship of particle size to coccidiostatic efficacy of buquinolate. Avian Dis. 1969 May;13(2):297-308. [Article]
- Kohls RE, Engle AT, Butters HE: Effects of continuous buquinolate medication of laying chickens. Avian Dis. 1972 Jul-Sep;16(4):907-14. [Article]
- Herrett RJ, Williams CW, Klein GM, Heotis JP: The distribution of C14 in the chick following the administration of buquinolate-3-C14. Poult Sci. 1967 May;46(3):755-61. [Article]
- Leathem WD, Engle AT: Effect of two levels of buquinolate on endogenous development and oocyst suppression of Eimeria tenella. Poult Sci. 1970 Jul;49(4):1109-13. [Article]
- External Links
- KEGG Drug
- D03179
- ChemSpider
- 20350
- ChEMBL
- CHEMBL584852
- ZINC
- ZINC000003983799
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0136 mg/mL ALOGPS logP 3.73 ALOGPS logP 4.45 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 5.95 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 73.86 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 101.03 m3·mol-1 Chemaxon Polarizability 40.76 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-1019000000-a4e9dbcf74461c3a56e8 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0093000000-3af7b543cc15ad0c909f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-1097000000-60b67fc10d4322588912 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0bt9-0092000000-faf4eadb19f162c5f2a2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03dj-0092000000-118a280d1580f8075ab3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-05ai-2091000000-a4da7f003608f86914ca Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.3115775 predictedDarkChem Lite v0.1.0 [M-H]- 188.66063 predictedDeepCCS 1.0 (2019) [M+H]+ 206.2618775 predictedDarkChem Lite v0.1.0 [M+H]+ 191.0186 predictedDeepCCS 1.0 (2019) [M+Na]+ 205.2633775 predictedDarkChem Lite v0.1.0 [M+Na]+ 197.52165 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 18:16 / Updated at February 21, 2021 18:53