Ethacizine

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

Identification

Generic Name
Ethacizine
DrugBank Accession Number
DB13645
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 413.54
Monoisotopic: 413.177312915
Chemical Formula
C22H27N3O3S
Synonyms
Not Available
External IDs
  • EZ-55
  • NIK-244

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
AcebutololAcebutolol may increase the arrhythmogenic activities of Ethacizine.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Ethacizine.
AdenosineAdenosine may increase the arrhythmogenic activities of Ethacizine.
AjmalineAjmaline may increase the arrhythmogenic activities of Ethacizine.
AmiodaroneThe risk or severity of adverse effects can be increased when Amiodarone is combined with Ethacizine.
Food Interactions
Not Available

Categories

ATC Codes
C01BC09 — Ethacizine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazines
Sub Class
Phenothiazines
Direct Parent
Phenothiazines
Alternative Parents
Diarylthioethers / Beta amino acids and derivatives / Benzenoids / 1,4-thiazines / Tertiary carboxylic acid amides / Carbamate esters / Trialkylamines / Organic carbonic acids and derivatives / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid / Beta amino acid or derivatives / Carbamic acid ester / Carbonic acid derivative / Carbonyl group
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
FE5SPV1Z6G
CAS number
33414-33-4
InChI Key
PQXGNJKJMFUPPM-UHFFFAOYSA-N
InChI
InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)
IUPAC Name
ethyl N-{10-[3-(diethylamino)propanoyl]-10H-phenothiazin-2-yl}carbamate
SMILES
CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN(CC)CC)C=C1

References

General References
Not Available
ChemSpider
96982
ChEBI
134732
ChEMBL
CHEMBL1997663
ZINC
ZINC000004182572
Wikipedia
Ethacizine

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 Solubility0.00945 mg/mLALOGPS
logP4.21ALOGPS
logP4Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)12.9Chemaxon
pKa (Strongest Basic)9.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area61.88 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity119.3 m3·mol-1Chemaxon
Polarizability44.86 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
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/MSsplash10-03di-3202900000-6e870b1180e0d162204d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02ai-0049300000-9197a36efff690dcc17f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03du-1119200000-eac1e345ecaa99aa8594
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03y0-2095200000-e182049c318f73cf4c8c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-4193000000-cc789e189a3d48c6faed
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lb-0091000000-eeb049847ca94744932a
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]-219.3790312
predicted
DarkChem Lite v0.1.0
[M-H]-195.84535
predicted
DeepCCS 1.0 (2019)
[M+H]+220.7759312
predicted
DarkChem Lite v0.1.0
[M+H]+198.20335
predicted
DeepCCS 1.0 (2019)
[M+Na]+218.9339312
predicted
DarkChem Lite v0.1.0
[M+Na]+205.23708
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53