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Dibenzepin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Dibenzepin
DrugBank Accession Number
DB13225
Background

Dibenzepin is approved for use in Europe.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 295.386
Monoisotopic: 295.168462308
Chemical Formula
C18H21N3O
Synonyms
  • Dibenzepin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available
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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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Dibenzepin.
AcarboseDibenzepin may decrease the hypoglycemic activities of Acarbose.
AcebutololDibenzepin may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of gastrointestinal bleeding can be increased when Dibenzepin is combined with Aceclofenac.
AcemetacinThe risk or severity of gastrointestinal bleeding can be increased when Dibenzepin is combined with Acemetacin.
Food Interactions
Not Available

Categories

ATC Codes
N06AA08 — Dibenzepin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodiazepines
Sub Class
Dibenzodiazepines
Direct Parent
Dibenzodiazepines
Alternative Parents
Alkyldiarylamines / 1,4-benzodiazepines / 1,4-diazepines / Benzenoids / Vinylogous amides / Tertiary carboxylic acid amides / Trialkylamines / Lactams / Amino acids and derivatives / Azacyclic compounds
show 4 more
Substituents
1,4-benzodiazepine / Alkyldiarylamine / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxamide group / Carboxylic acid derivative / Dibenzodiazepine
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
510SJZ1Y6L
CAS number
4498-32-2
InChI Key
QPGGEKPRGVJKQB-UHFFFAOYSA-N
InChI
InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
IUPAC Name
9-[2-(dimethylamino)ethyl]-2-methyl-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
SMILES
CN(C)CCN1C2=CC=CC=C2N(C)C2=CC=CC=C2C1=O

References

General References
Not Available
ChemSpider
9048
BindingDB
50101814
RxNav
3332
ChEBI
93394
ChEMBL
CHEMBL1442422
ZINC
ZINC000000001275
Wikipedia
Dibenzepin

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
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.08 mg/mLALOGPS
logP2.33ALOGPS
logP2.64Chemaxon
logS-2.4ALOGPS
pKa (Strongest Basic)8.23Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.79 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity90.05 m3·mol-1Chemaxon
Polarizability33.4 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0002-0090000000-3643264816aa74bad711
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-d22f85bd2fccd5ea384a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1090000000-35f585fb23a2fdcf602e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ko-0090000000-272596a414f9c72b0980
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9070000000-2ac6794310d766c641e9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05gm-2490000000-831bfbbfa5b2fc7542f4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-161.48195
predicted
DeepCCS 1.0 (2019)
[M+H]+163.83995
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.93309
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54