NAV

Zoalene

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

Identification

Generic Name
Zoalene
DrugBank Accession Number
DB11480
Background

Dinitolmide is a fodder additive for prophylaxis against coccidiosis infections in poultry.

Type
Small Molecule
Groups
Experimental, Vet approved
Structure
3D
Similar Structures
Weight
Average: 225.1583
Monoisotopic: 225.038570349
Chemical Formula
C8H7N3O5
Synonyms
  • Coccidine A
  • Dinitolmida
  • Dinitolmide
  • Dinitolmidum
  • Zoalene
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
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SulpirideThe risk or severity of adverse effects can be increased when Zoalene is combined with Sulpiride.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Toluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
o-Toluamides / Nitrobenzenes / Benzamides / Nitroaromatic compounds / Benzoyl derivatives / Primary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Organopnictogen compounds / Organooxygen compounds
show 4 more
Substituents
Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / Benzamide / Benzoic acid or derivatives / Benzoyl / C-nitro compound / Carboxamide group / Carboxylic acid derivative / Dinitrotoluene / Hydrocarbon derivative
show 16 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
AOX68RY4TV
CAS number
148-01-6
InChI Key
ZEFNOZRLAWVAQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)
IUPAC Name
2-methyl-3,5-dinitrobenzamide
SMILES
CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O

References

General References
  1. Bigland CH, Howell J, DaMassa AJ: Zoalene toxicity in broiler chickens. Avian Dis. 1963 Nov;7(4):471-80. [Article]
  2. Morawski J, Kyle G: Liquid chromatographic determination of zoalene in medicated feeds. J Assoc Off Anal Chem. 1984 Sep-Oct;67(5):861-2. [Article]
  3. Barefield LA: Qualitative identification of furazolidone, tylosin, and zoalene in feeds. J Assoc Off Anal Chem. 1973 May;56(3):762-4. [Article]
  4. Parks OW: Depletion of the monoamino metabolites of Zoalene during frozen storage. J AOAC Int. 1993 May-Jun;76(3):698-701. [Article]
  5. Burow H, Weiss H: [Experimental zoalene resistance in an Eimeria (E) tenella field strain]. Berl Munch Tierarztl Wochenschr. 1972 Apr 1;85(7):127-32. [Article]
  6. Sokolov GA: [Zoalene for the treatment of lambs with coccidiosis]. Veterinariia. 1967 Mar;44(3):57-8. [Article]
  7. Stuart EE, Bruins HW, Keenum RD: The immunogenicity of a commercial coccidiosis vaccine in conjunction with Trithiadol and Zoalene. Avian Dis. 1963 Feb;7(1):12-8. [Article]
  8. ROSENBERG DW, WOODWARD WD, KLINE AE: Effect of two nitrofurans and zoalene on poultry condemnations due to air sac disease. J Am Vet Med Assoc. 1962 Oct 15;141:958-9. [Article]
  9. Leibetseder J: [Studies on the harmlessness to health of 3,5-dinitro-o-toluylamide (Zoalene) in laying hen feed]. Wien Tierarztl Monatsschr. 1968;55(12):761-86. [Article]
  10. Parks OW, Doerr RC: Liquid chromatographic determination of zoalene and its metabolites in chicken tissues with electrochemical detection. J Assoc Off Anal Chem. 1986 Jan-Feb;69(1):70-1. [Article]
  11. Yannai, Shmuel (2003). Dictionary of Food Compounds with : Additives, Flavors, and Ingredients. CRC Press LLC. [ISBN:1584884169]
Human Metabolome Database
HMDB0032558
KEGG Drug
D07857
ChemSpider
2982
RxNav
1487907
ChEMBL
CHEMBL472565
ZINC
ZINC000002040950
Wikipedia
Dinitolmide

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 Solubility0.109 mg/mLALOGPS
logP0.73ALOGPS
logP1.22Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)12.37Chemaxon
pKa (Strongest Basic)-0.85Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area129.37 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity52.82 m3·mol-1Chemaxon
Polarizability19.18 Å3Chemaxon
Number of Rings1Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-004i-9220000000-0ed4181a127531e0e7be
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]-156.3414672
predicted
DarkChem Lite v0.1.0
[M-H]-142.7005868
predicted
DarkChem Lite v0.1.0
[M-H]-156.4150672
predicted
DarkChem Lite v0.1.0
[M-H]-145.7526
predicted
DeepCCS 1.0 (2019)
[M+H]+157.2512672
predicted
DarkChem Lite v0.1.0
[M+H]+157.8019146
predicted
DarkChem Lite v0.1.0
[M+H]+157.0751672
predicted
DarkChem Lite v0.1.0
[M+H]+148.14816
predicted
DeepCCS 1.0 (2019)
[M+Na]+156.4734672
predicted
DarkChem Lite v0.1.0
[M+Na]+156.8764672
predicted
DarkChem Lite v0.1.0
[M+Na]+156.5869672
predicted
DarkChem Lite v0.1.0
[M+Na]+154.3604
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 19:07 / Updated at June 12, 2020 16:53