Decoquinate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Decoquinate
Accession Number
DB11394
Type
Small Molecule
Groups
Experimental, Vet approved
Description

Decoquinate is used in veterinary to delay the growth and reproduction of coccidian parasites.

Structure
Thumb
Synonyms
  • Decoquinate
  • Decoquinato
  • Decoquinatum
External IDs
HC 1528 / HC-1528 / M&B 15497 / M&B-15497
International/Other Brands
Deccox
Categories
UNII
534I52PVWH
CAS number
18507-89-6
Weight
Average: 417.546
Monoisotopic: 417.251523231
Chemical Formula
C24H35NO5
InChI Key
JHAYEQICABJSTP-UHFFFAOYSA-N
InChI
InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)
IUPAC Name
ethyl 6-(decyloxy)-7-ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
SMILES
CCCCCCCCCCOC1=C(OCC)C=C2NC=C(C(=O)OCC)C(=O)C2=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
  1. Authors unspecified: The determination of decoquinate in animal feeds. Analyst. 1975 Jan;100(1186):63-7. [PubMed:1137187]
  2. Hobson-Frohock A: Determination of decoquinate in poultry feed. Analyst. 1982 Oct;107(1279):1195-9. [PubMed:7181123]
  3. Filer CW, Hiscock DR, Parnell EW: Decoquinate. I. An absorption and elimination study in broiler chickens using 14C-labelled decoquinate. J Sci Food Agric. 1969 Feb;20(2):65-9. [PubMed:5777008]
  4. McLoughlin DK, Chute MB: Efficacy of decoquinate against eleven strains of Eimeria tenella and development of a decoquinate-resistant strain. Avian Dis. 1971 Apr-Jun;15(2):342-5. [PubMed:5582058]
  5. Lindsay DS, Butler JM, Blagburn BL: Efficacy of decoquinate against Neospora caninum tachyzoites in cell cultures. Vet Parasitol. 1997 Jan;68(1-2):35-40. [PubMed:9066049]
  6. Seman DH, Hayek MG, Batson DB, Cantor AH, Tucker RE, Muntifering RB, Ely DG, Soler BL, Mitchell GE Jr: Comparative metabolism of 14C-decoquinate in chickens, quail and sheep. Vet Hum Toxicol. 1986 Aug;28(4):325-7. [PubMed:3750815]
  7. Foreyt WJ, Hancock D, Wescott RB: Prevention and control of coccidiosis in goats with decoquinate. Am J Vet Res. 1986 Feb;47(2):333-5. [PubMed:3954215]
  8. Seman DH, Catherman DR, Matsui T, Hayek MG, Batson DB, Cantor AH, Tucker RE, Muntifering RB, Westendorf ML, Mitchell GE Jr: Metabolism of decoquinate in chickens and Japanese quail. Poult Sci. 1989 May;68(5):670-5. [PubMed:2755893]
  9. Miner ML, Jensen JB: Decoquinate in the control of experimentally induced coccidiosis of calves. Am J Vet Res. 1976 Sep;37(9):1043-5. [PubMed:962204]
  10. Quintero-de Leonardo J, Rosiles R, Bautista J, Gonzalez-Monson N, Sumano H: Oral pharmacokinetics and milk residues of decoquinate in milking cows. J Vet Pharmacol Ther. 2009 Aug;32(4):403-6. doi: 10.1111/j.1365-2885.2008.01049.x. [PubMed:19614848]
External Links
KEGG Drug
D03667
ChemSpider
27081
RxNav
1314345
ChEMBL
CHEMBL416230
ZINC
ZINC000038139853
Wikipedia
Decoquinate

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.000679 mg/mLALOGPS
logP6ALOGPS
logP6.31ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)5.95ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area73.86 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity119.77 m3·mol-1ChemAxon
Polarizability49.91 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-014i-0000900000-e690de8d862bdf40b493
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-014i-0002900000-3ad58466cd454b2e1d0c
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0006-0009000000-0846e63f39c3c6204b34
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0fdo-0089000000-1baac28022fb5acb9848
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0uk9-0090000000-d1bcad88017e40714acc

Taxonomy

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
Dihydroquinolone / Dihydroquinoline / Pyridine carboxylic acid / Pyridine carboxylic acid or derivatives / Alkyl aryl ether / Benzenoid / Pyridine / Heteroaromatic compound / Vinylogous amide / Carboxylic acid ester
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on February 25, 2016 11:22 / Updated on March 01, 2020 20:52

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