Tiracizine

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

Identification

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Name
Tiracizine
Accession Number
DB13635
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
9UUO2T61K7
CAS number
83275-56-3
Weight
Average: 367.449
Monoisotopic: 367.189591677
Chemical Formula
C21H25N3O3
InChI Key
KJAMZCVTJDTESW-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)
IUPAC Name
N-{2-[2-(dimethylamino)acetyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-5-yl}ethoxycarboximidic acid
SMILES
CCOC(O)=NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=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
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololAcebutolol may increase the arrhythmogenic activities of Tiracizine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Tiracizine.
AcetyldigoxinTiracizine may increase the arrhythmogenic activities of Acetyldigoxin.
AdenosineAdenosine may increase the arrhythmogenic activities of Tiracizine.
AgmatineAgmatine may increase the arrhythmogenic activities of Tiracizine.
AjmalineAjmaline may increase the arrhythmogenic activities of Tiracizine.
AlprenololAlprenolol may increase the arrhythmogenic activities of Tiracizine.
AmiodaroneAmiodarone may increase the arrhythmogenic activities of Tiracizine.
AmlodipineAmlodipine may increase the arrhythmogenic activities of Tiracizine.
AnisodamineAnisodamine may increase the arrhythmogenic activities of Tiracizine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
64392
BindingDB
50146373
ChEBI
135549
ChEMBL
CHEMBL1625260
Wikipedia
Tiracizine
ATC Codes
C01EB11 — Tiracizine

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0741 mg/mLALOGPS
logP2.51ALOGPS
logP1.42ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)3.61ChemAxon
pKa (Strongest Basic)7.13ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area65.37 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity107.78 m3·mol-1ChemAxon
Polarizability40.3 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
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/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 dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzazepines
Sub Class
Dibenzazepines
Direct Parent
Dibenzazepines
Alternative Parents
Alpha amino acids and derivatives / Azepines / Benzenoids / Tertiary carboxylic acid amides / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides
show 2 more
Substituents
Dibenzazepine / Alpha-amino acid or derivatives / Azepine / Benzenoid / Carbamic acid ester / Tertiary carboxylic acid amide / Amino acid or derivatives / Carboxamide group / Tertiary aliphatic amine / Tertiary amine
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:45 / Updated on May 01, 2019 13:13