Tioxidazole
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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
- Tioxidazole
- DrugBank Accession Number
- DB11472
- Background
Not Available
- Type
- Small Molecule
- Groups
- Vet approved
- Structure
- Weight
- Average: 266.32
Monoisotopic: 266.072513493 - Chemical Formula
- C12H14N2O3S
- Synonyms
- Tioxidazol
- Tioxidazole
- Tioxidazolum
- External IDs
- SCH 21480
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- 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
- McCracken RO, Lipkowitz KB: Experimental and theoretical studies of albendazole, oxibendazole, and tioxidazole. J Parasitol. 1990 Apr;76(2):180-5. [Article]
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- External Links
- KEGG Drug
- D06158
- ChemSpider
- 65130
- ChEMBL
- CHEMBL1371412
- ZINC
- ZINC000001842639
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 0.0403 mg/mL ALOGPS logP 2.93 ALOGPS logP 3.38 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 12.11 Chemaxon pKa (Strongest Basic) 1.36 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.45 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 68.82 m3·mol-1 Chemaxon Polarizability 28.25 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 splash10-0a4i-0090000000-7cd48a0dddc2f1e104c7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-1190000000-d1e168c1418305b9a0d5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0aor-0190000000-b2def603df184a96985c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1920000000-a6f97943b3121b79bc33 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-1920000000-9cdeb360405e8bd5acb3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0900000000-6aaf2e9ca94e8de5d99d 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]- 171.2375167 predictedDarkChem Lite v0.1.0 [M-H]- 159.12755 predictedDeepCCS 1.0 (2019) [M+H]+ 171.8398167 predictedDarkChem Lite v0.1.0 [M+H]+ 161.48555 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.57881 predictedDeepCCS 1.0 (2019)
Drug created at February 25, 2016 19:02 / Updated at February 21, 2021 18:53