NAV

Tiracizine

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

Identification

Generic Name
Tiracizine
DrugBank Accession Number
DB13635
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 367.449
Monoisotopic: 367.189591677
Chemical Formula
C21H25N3O3
Synonyms
  • Tiracizina
  • Tiracizine
  • Tiracizinum
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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

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
Integrate drug-drug
interactions in your software
AcebutololAcebutolol may increase the arrhythmogenic activities of Tiracizine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Tiracizine.
AdenosineAdenosine may increase the arrhythmogenic activities of Tiracizine.
AjmalineAjmaline may increase the arrhythmogenic activities of Tiracizine.
AmiodaroneThe risk or severity of adverse effects can be increased when Amiodarone is combined with Tiracizine.
Food Interactions
Not Available

Categories

ATC Codes
C01EB11 — Tiracizine
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Azepine / Benzenoid / Carbamic acid ester / Carbonic acid derivative / Carbonyl group
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
9UUO2T61K7
CAS number
83275-56-3
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
ethyl N-{2-[2-(dimethylamino)acetyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-5-yl}carbamate
SMILES
CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1

References

General References
Not Available
ChemSpider
64392
BindingDB
50146373
ChEBI
135549
ChEMBL
CHEMBL1625260
ZINC
ZINC000000538471
Wikipedia
Tiracizine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0501 mg/mLALOGPS
logP2.76ALOGPS
logP3.4Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)13.05Chemaxon
pKa (Strongest Basic)7.11Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.88 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity106.76 m3·mol-1Chemaxon
Polarizability40.26 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/MSsplash10-014i-0019000000-777d1349620e61ea34f3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-2098000000-72f552136bd540026a43
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2094000000-6fdee48f65dc293744af
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001r-8096000000-25b7e05e6f12d0b7751d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-5092000000-f87507267ec1220edcd2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01p9-1091000000-2fbc949ae0f3b8466ede
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]-202.1658372
predicted
DarkChem Lite v0.1.0
[M-H]-191.19635
predicted
DeepCCS 1.0 (2019)
[M+H]+201.8827372
predicted
DarkChem Lite v0.1.0
[M+H]+193.61806
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.3356372
predicted
DarkChem Lite v0.1.0
[M+Na]+200.77924
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at February 21, 2021 18:54