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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyOxatomide
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Oxatomide
- Accession Number
- DB12877
- Type
- Small Molecule
- Groups
- Investigational
- Description
Oxatomide has been used in trials studying the treatment of Muscular Dystrophy, Duchenne.
- Structure
Structure for Oxatomide (DB12877)
- Synonyms
- Not Available
- Categories
- UNII
- J31IL9Z2EE
- CAS number
- 60607-34-3
- Weight
- Average: 426.564
Monoisotopic: 426.241961602 - Chemical Formula
- C27H30N4O
- InChI Key
- BAINIUMDFURPJM-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
- IUPAC Name
- 1-{3-[4-(diphenylmethyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
- SMILES
- OC1=NC2=CC=CC=C2N1CCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=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
Pathway Category Oxatomide H1-Antihistamine Action Drug action - Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction 2,5-Dimethoxy-4-ethylamphetamine 2,5-Dimethoxy-4-ethylamphetamine may decrease the sedative activities of Oxatomide. 2,5-Dimethoxy-4-ethylthioamphetamine 2,5-Dimethoxy-4-ethylthioamphetamine may decrease the sedative activities of Oxatomide. 3,4-Methylenedioxyamphetamine 3,4-Methylenedioxyamphetamine may decrease the sedative activities of Oxatomide. 4-Bromo-2,5-dimethoxyamphetamine 4-Bromo-2,5-dimethoxyamphetamine may decrease the sedative activities of Oxatomide. Alfuzosin The risk or severity of QTc prolongation can be increased when Alfuzosin is combined with Oxatomide. Alimemazine The risk or severity of QTc prolongation can be increased when Alimemazine is combined with Oxatomide. Amantadine The risk or severity of QTc prolongation can be increased when Amantadine is combined with Oxatomide. Amiodarone The risk or severity of QTc prolongation can be increased when Oxatomide is combined with Amiodarone. Amitriptyline The risk or severity of QTc prolongation can be increased when Amitriptyline is combined with Oxatomide. Amlodipine The risk or severity of QTc prolongation can be increased when Amlodipine is combined with Oxatomide. - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240225
- PubChem Compound
- 4615
- PubChem Substance
- 347829033
- ChemSpider
- 4454
- BindingDB
- 76863
- ChEBI
- 31943
- ChEMBL
- CHEMBL13828
- PharmGKB
- PA163522137
- Wikipedia
- Oxatomide
- ATC Codes
- R06AE06 — Oxatomide
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Muscular Dystrophy, Duchenne 1
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 0.0393 mg/mL ALOGPS logP 4.71 ALOGPS logP 4.62 ChemAxon logS -4 ALOGPS pKa (Strongest Acidic) 12.92 ChemAxon pKa (Strongest Basic) 8.01 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 38.82 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 130.94 m3·mol-1 ChemAxon Polarizability 48.56 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Diphenylmethanes
- Direct Parent
- Diphenylmethanes
- Alternative Parents
- Benzimidazoles / N-alkylpiperazines / Aralkylamines / N-substituted imidazoles / Heteroaromatic compounds / Ureas / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds show 2 more
- Substituents
- Diphenylmethane / Benzimidazole / N-alkylpiperazine / Aralkylamine / 1,4-diazinane / N-substituted imidazole / Piperazine / Azole / Imidazole / Heteroaromatic compound show 14 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Drug created on October 20, 2016 18:57 / Updated on October 01, 2018 15:22