This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Albendazole oxide
- DrugBank Accession Number
- DB13871
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Albendazole oxide (DB13871)
- Weight
- Average: 281.331
Monoisotopic: 281.083412051 - Chemical Formula
- C12H15N3O3S
- Synonyms
- (±)-albendazole sulfoxide
- Albendazole oxide
- Albendazole S-oxide
- Albendazole sulfoxide
- Methyl 5-(propylsulfinyl)-2-benzimidazolecarbamate
- Ricobendazole
- Rycobendazole
- External IDs
- RS 8852
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareMethotrexate The excretion of Methotrexate can be decreased when combined with Albendazole oxide. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzimidazoles
- Sub Class
- Not Available
- Direct Parent
- Benzimidazoles
- Alternative Parents
- Benzenoids / Imidazoles / Heteroaromatic compounds / Sulfoxides / Sulfinyl compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds show 3 more
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carboximidic acid derivative / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Organic 1,3-dipolar compound show 10 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- sulfoxide (CHEBI:16959) / a small molecule (ALBENDAZOLE-S-OXIDE)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- J39B52TV34
- CAS number
- 54029-12-8
- InChI Key
- VXTGHWHFYNYFFV-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
- IUPAC Name
- methyl N-[5-(propane-1-sulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate
- SMILES
- CCCS(=O)C1=CC=C2NC(NC(=O)OC)=NC2=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0060560
- KEGG Drug
- D07106
- KEGG Compound
- C02809
- PubChem Compound
- 83969
- PubChem Substance
- 347829323
- ChemSpider
- 75767
- ChEBI
- 16959
- ChEMBL
- CHEMBL1665
- Wikipedia
- Albendazole
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.901 mg/mL ALOGPS logP 1.18 ALOGPS logP 1.57 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 9.26 Chemaxon pKa (Strongest Basic) 3.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.08 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 74.53 m3·mol-1 Chemaxon Polarizability 29.48 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.1461749 predictedDarkChem Lite v0.1.0 [M-H]- 183.2588749 predictedDarkChem Lite v0.1.0 [M-H]- 168.8018 predictedDeepCCS 1.0 (2019) [M-H]- 183.1461749 predictedDarkChem Lite v0.1.0 [M-H]- 183.2588749 predictedDarkChem Lite v0.1.0 [M-H]- 168.8018 predictedDeepCCS 1.0 (2019) [M+H]+ 182.9111749 predictedDarkChem Lite v0.1.0 [M+H]+ 183.5662749 predictedDarkChem Lite v0.1.0 [M+H]+ 171.15984 predictedDeepCCS 1.0 (2019) [M+H]+ 182.9111749 predictedDarkChem Lite v0.1.0 [M+H]+ 183.5662749 predictedDarkChem Lite v0.1.0 [M+H]+ 171.15984 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.0988749 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.5882749 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.2531 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.0988749 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.5882749 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.2531 predictedDeepCCS 1.0 (2019)
Drug created at July 07, 2017 20:26 / Updated at February 21, 2021 18:54