Buquinolate

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
  1. Edgar SA, Flanagan C: Coccidiostatic effects of buquinolate in poultry. Poult Sci. 1968 Jan;47(1):95-104. [Article]
  2. Engle AT, Humphrey RP, Johnson CA: Buquinolate, a new broad spectrum coccidiostat. Poult Sci. 1967 Jul;46(4):810-8. [Article]
  3. Leathem WD: Buquinolate and immunization to Eimeria acervulina. Poult Sci. 1973 Jul;52(4):1468-72. [Article]
  4. 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]
  5. Leathem WD, Kohls RE: Acquired immunity of buquinolate-medicated chickens to Eimeria tenella infection. Poult Sci. 1971 Sep;50(5):1492-5. [Article]
  6. 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]
  7. Eckman MK, Kohls RE, Humphrey RP: Relationship of particle size to coccidiostatic efficacy of buquinolate. Avian Dis. 1969 May;13(2):297-308. [Article]
  8. Kohls RE, Engle AT, Butters HE: Effects of continuous buquinolate medication of laying chickens. Avian Dis. 1972 Jul-Sep;16(4):907-14. [Article]
  9. 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]
  10. 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]
KEGG Drug
D03179
ChemSpider
20350
ChEMBL
CHEMBL584852
ZINC
ZINC000003983799

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0136 mg/mLALOGPS
logP3.73ALOGPS
logP4.45Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)5.95Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area73.86 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity101.03 m3·mol-1Chemaxon
Polarizability40.76 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-1019000000-a4e9dbcf74461c3a56e8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0093000000-3af7b543cc15ad0c909f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-1097000000-60b67fc10d4322588912
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0bt9-0092000000-faf4eadb19f162c5f2a2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dj-0092000000-118a280d1580f8075ab3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05ai-2091000000-a4da7f003608f86914ca
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-205.3115775
predicted
DarkChem Lite v0.1.0
[M-H]-188.66063
predicted
DeepCCS 1.0 (2019)
[M+H]+206.2618775
predicted
DarkChem Lite v0.1.0
[M+H]+191.0186
predicted
DeepCCS 1.0 (2019)
[M+Na]+205.2633775
predicted
DarkChem Lite v0.1.0
[M+Na]+197.52165
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 18:16 / Updated at February 21, 2021 18:53