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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
- Approved, Investigational
- Description
Oxatomide has been used in trials studying the treatment of Muscular Dystrophy, Duchenne.
- Structure
Structure for Oxatomide (DB12877)
- Synonyms
- Oxatomida
- Oxatomide
- Oxatomidum
- External IDs
- KW-4354 / McN-JR 35443 / R 35 443 / R 35,443
- International/Other Brands
- Celtect / Tinset
- 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
- O=C1NC2=C(C=CC=C2)N1CCCN1CCN(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
- 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 Unlock Additional Data2,5-Dimethoxy-4-ethylamphetamine 2,5-Dimethoxy-4-ethylamphetamine may decrease the sedative and stimulatory activities of Oxatomide. 2,5-Dimethoxy-4-ethylthioamphetamine 2,5-Dimethoxy-4-ethylthioamphetamine may decrease the sedative and stimulatory activities of Oxatomide. 4-Bromo-2,5-dimethoxyamphetamine 4-Bromo-2,5-dimethoxyamphetamine may decrease the sedative and stimulatory activities of Oxatomide. Abexinostat The risk or severity of QTc prolongation can be increased when Abexinostat is combined with Oxatomide. Acebutolol The risk or severity of QTc prolongation can be increased when Acebutolol is combined with Oxatomide. Aceprometazine The risk or severity of QTc prolongation can be increased when Aceprometazine is combined with Oxatomide. Acetyldigoxin The risk or severity of QTc prolongation can be increased when Acetyldigoxin is combined with Oxatomide. Acrivastine The risk or severity of QTc prolongation can be increased when Acrivastine is combined with Oxatomide. Adenosine The risk or severity of QTc prolongation can be increased when Adenosine is combined with Oxatomide. Ajmaline The risk or severity of QTc prolongation can be increased when Ajmaline is combined with Oxatomide. Additional Data Available- Extended DescriptionExtended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
Learn more - Severity
- Evidence Level
- ActionAction
An effect category for each drug interaction. Know how this interaction affects the subject drug.
Learn more
- Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240225
- KEGG Drug
- D01773
- PubChem Compound
- 4615
- PubChem Substance
- 347829033
- ChemSpider
- 4454
- BindingDB
- 76863
- RxNav
- 54236
- ChEBI
- 31943
- ChEMBL
- CHEMBL13828
- ZINC
- ZINC000019632896
- 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 48.79 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 June 12, 2020 10:53
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