NAV

Tioxidazole

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

Identification

Generic Name
Tioxidazole
DrugBank Accession Number
DB11472
Background

Not Available

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 266.32
Monoisotopic: 266.072513493
Chemical Formula
C12H14N2O3S
Synonyms
  • Tioxidazol
  • Tioxidazole
  • Tioxidazolum
External IDs
  • SCH 21480
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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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Tiox (Veterinary)

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazoles
Sub Class
Not Available
Direct Parent
Benzothiazoles
Alternative Parents
Alkyl aryl ethers / Benzenoids / Thiazoles / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
1,3-benzothiazole / Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Carboximidic acid derivative / Ether / Heteroaromatic compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NZW046NI85
CAS number
61570-90-9
InChI Key
HLLICFJUWSZHRJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O3S/c1-3-6-17-8-4-5-9-10(7-8)18-11(13-9)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)
IUPAC Name
methyl N-(6-propoxy-1,3-benzothiazol-2-yl)carbamate
SMILES
CCCOC1=CC=C2N=C(NC(=O)OC)SC2=C1

References

General References
  1. McCracken RO, Lipkowitz KB: Experimental and theoretical studies of albendazole, oxibendazole, and tioxidazole. J Parasitol. 1990 Apr;76(2):180-5. [Article]
  2. Drudge JH, Lyons ET, Tolliver SC: Critical tests of new benzothiazole anthelmintic tioxidazole in the horse. Am J Vet Res. 1980 Sep;41(9):1383-7. [Article]
  3. Panitz E, Daniels PJ, Loebenberg D, Nafissi MM, Waitz JA: Anthelmintic activity of tioxidazole (Sch 21480) against gastrointestinal roundworms. Experientia. 1978 Jun 15;34(6):733. [Article]
  4. Lyons ET, Drudge JH, Tolliver SC: Tioxidazole: evaluation of antiparasitic activity of a micronized formulation in horses by the critical test method. Am J Vet Res. 1981 Jun;42(6):1048-9. [Article]
  5. McCracken RO, Lipkowitz KB: Structure-activity relationships of benzothiazole and benzimidazole anthelmintics: a molecular modeling approach to in vivo drug efficacy. J Parasitol. 1990 Dec;76(6):853-64. [Article]
  6. Lyons ET, Drudge JH, Tolliver SC: Apparent inactivity of several antiparasitic compounds against the eyeworm Thelazia lacrymalis in equids. Am J Vet Res. 1981 Jun;42(6):1046-7. [Article]
  7. Kulakova L, Galkin A, Chen CZ, Southall N, Marugan JJ, Zheng W, Herzberg O: Discovery of novel antigiardiasis drug candidates. Antimicrob Agents Chemother. 2014 Dec;58(12):7303-11. doi: 10.1128/AAC.03834-14. Epub 2014 Sep 29. [Article]
KEGG Drug
D06158
ChemSpider
65130
ChEMBL
CHEMBL1371412
ZINC
ZINC000001842639

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 Solubility0.0403 mg/mLALOGPS
logP2.93ALOGPS
logP3.38Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)12.11Chemaxon
pKa (Strongest Basic)1.36Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area60.45 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity68.82 m3·mol-1Chemaxon
Polarizability28.25 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/MSsplash10-0a4i-0090000000-7cd48a0dddc2f1e104c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1190000000-d1e168c1418305b9a0d5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-0190000000-b2def603df184a96985c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1920000000-a6f97943b3121b79bc33
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1920000000-9cdeb360405e8bd5acb3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0900000000-6aaf2e9ca94e8de5d99d
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]-171.2375167
predicted
DarkChem Lite v0.1.0
[M-H]-159.12755
predicted
DeepCCS 1.0 (2019)
[M+H]+171.8398167
predicted
DarkChem Lite v0.1.0
[M+H]+161.48555
predicted
DeepCCS 1.0 (2019)
[M+Na]+167.57881
predicted
DeepCCS 1.0 (2019)

Drug created at February 25, 2016 19:02 / Updated at February 21, 2021 18:53