Ethacizine
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcebutolol Acebutolol may increase the arrhythmogenic activities of Ethacizine. Acetyldigitoxin Acetyldigitoxin may increase the arrhythmogenic activities of Ethacizine. Adenosine Adenosine may increase the arrhythmogenic activities of Ethacizine. Ajmaline Ajmaline may increase the arrhythmogenic activities of Ethacizine. Amiodarone The 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
- External Links
- ChemSpider
- 96982
- ChEBI
- 134732
- ChEMBL
- CHEMBL1997663
- ZINC
- ZINC000004182572
- Wikipedia
- Ethacizine
Clinical Trials
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
Property Value Source Water Solubility 0.00945 mg/mL ALOGPS logP 4.21 ALOGPS logP 4 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 12.9 Chemaxon pKa (Strongest Basic) 9.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 119.3 m3·mol-1 Chemaxon Polarizability 44.86 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-3202900000-6e870b1180e0d162204d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-02ai-0049300000-9197a36efff690dcc17f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03du-1119200000-eac1e345ecaa99aa8594 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03y0-2095200000-e182049c318f73cf4c8c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-4193000000-cc789e189a3d48c6faed Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00lb-0091000000-eeb049847ca94744932a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 219.3790312 predictedDarkChem Lite v0.1.0 [M-H]- 195.84535 predictedDeepCCS 1.0 (2019) [M+H]+ 220.7759312 predictedDarkChem Lite v0.1.0 [M+H]+ 198.20335 predictedDeepCCS 1.0 (2019) [M+Na]+ 218.9339312 predictedDarkChem Lite v0.1.0 [M+Na]+ 205.23708 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:45 / Updated at June 12, 2020 16:53