Oxatomide

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
Thumb
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
PathwayCategory
Oxatomide H1-Antihistamine ActionDrug action
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the sedative and stimulatory activities of Oxatomide.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the sedative and stimulatory activities of Oxatomide.
3,4-Methylenedioxyamphetamine3,4-Methylenedioxyamphetamine may decrease the sedative and stimulatory activities of Oxatomide.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the sedative and stimulatory activities of Oxatomide.
AbexinostatThe risk or severity of QTc prolongation can be increased when Abexinostat is combined with Oxatomide.
AcebutololThe risk or severity of QTc prolongation can be increased when Acebutolol is combined with Oxatomide.
AceprometazineThe risk or severity of QTc prolongation can be increased when Aceprometazine is combined with Oxatomide.
AcetyldigoxinThe risk or severity of QTc prolongation can be increased when Acetyldigoxin is combined with Oxatomide.
AcrivastineThe risk or severity of QTc prolongation can be increased when Acrivastine is combined with Oxatomide.
AdenosineThe risk or severity of QTc prolongation can be increased when Adenosine 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
PhaseStatusPurposeConditionsCount
2CompletedTreatmentMuscular Dystrophy, Duchenne1

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 Solubility0.0393 mg/mLALOGPS
logP4.71ALOGPS
logP4.62ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)12.92ChemAxon
pKa (Strongest Basic)8.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area38.82 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity130.94 m3·mol-1ChemAxon
Polarizability48.56 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot 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 November 02, 2018 07:30