Tibezonium iodide

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

Identification

Generic Name
Tibezonium iodide
DrugBank Accession Number
DB13702
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 601.61
Monoisotopic: 601.10824
Chemical Formula
C28H32IN3S2
Synonyms
  • Tibezonium iodide

Pharmacology

Indication

Not Available

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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

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.
Not Available
Food Interactions
Not Available

Products

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Categories

ATC Codes
A01AB15 — Tibezonium iodide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodiazepines
Sub Class
Not Available
Direct Parent
Benzodiazepines
Alternative Parents
Diarylthioethers / Thiophenol ethers / Imidothiolactones / Benzene and substituted derivatives / Tetraalkylammonium salts / Ketimines / Sulfenyl compounds / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds / Organic zwitterions
show 3 more
Substituents
Amine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Benzodiazepine / Diarylthioether / Hydrocarbon derivative / Imidothiolactone / Imine
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
E9P274AJEW
CAS number
54663-47-7
InChI Key
YTSPICCNZMNDQT-UHFFFAOYSA-M
InChI
InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1
IUPAC Name
diethyl(methyl)[2-({4-[4-(phenylsulfanyl)phenyl]-3H-1,5-benzodiazepin-2-yl}sulfanyl)ethyl]azanium iodide
SMILES
[I-].CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C1=CC=C(SC2=CC=CC=C2)C=C1

References

General References
Not Available
ChemSpider
5293779
RxNav
237141
ChEMBL
CHEMBL2107065
Wikipedia
Tibezonium_iodide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
MouthwashOral
TabletTransmucosal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.28e-05 mg/mLALOGPS
logP1.92ALOGPS
logP3.17Chemaxon
logS-7.7ALOGPS
pKa (Strongest Acidic)9.79Chemaxon
pKa (Strongest Basic)2.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area24.72 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity161.62 m3·mol-1Chemaxon
Polarizability56.27 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-205.31952
predicted
DeepCCS 1.0 (2019)
[M+H]+207.71509
predicted
DeepCCS 1.0 (2019)
[M+Na]+213.69728
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54