Eltoprazine

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

Identification

Generic Name
Eltoprazine
DrugBank Accession Number
DB12883
Background

Eltoprazine has been used in trials studying the treatment of Schizophrenia and Cognitive Impairment.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 220.272
Monoisotopic: 220.121177763
Chemical Formula
C12H16N2O2
Synonyms
  • Eltoprazine

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
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Eltoprazine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Eltoprazine is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Eltoprazine.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Eltoprazine.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Eltoprazine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Eltoprazine hydrochloride5275JY4PKD98206-09-8JFSOSUNPIXJCIX-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
N-arylpiperazines
Alternative Parents
Benzo-1,4-dioxanes / Dialkylarylamines / Alkyl aryl ethers / Para dioxins / Benzenoids / Oxacyclic compounds / Dialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzo-1,4-dioxane / Benzodioxane / Dialkylarylamine / Ether / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
510M006KO6
CAS number
98224-03-4
InChI Key
WVLHGCRWEHCIOT-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
IUPAC Name
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILES
C1CN(CCN1)C1=C2OCCOC2=CC=C1

References

General References
Not Available
PubChem Compound
65853
PubChem Substance
347829038
ChemSpider
59265
BindingDB
50035057
ChEMBL
CHEMBL282614
ZINC
ZINC000000001347
Wikipedia
Eltoprazine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCognitive Impairment (CI) / Schizophrenia1
2Unknown StatusTreatmentDyskinesia / Parkinson's Disease (PD)1

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 Solubility11.6 mg/mLALOGPS
logP1.08ALOGPS
logP1.06Chemaxon
logS-1.3ALOGPS
pKa (Strongest Basic)8.83Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area33.73 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity62.2 m3·mol-1Chemaxon
Polarizability23.76 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-1910000000-97ef8258947211058093
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0190000000-3f14127fe8db33c1e386
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014l-0890000000-57cfc7449781e0e0f726
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0890000000-75ee7cfaa23a047b8c29
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-016u-0950000000-00e4f0027393965ed962
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-4900000000-01bc45d2c7ec0f0c573f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01pc-1910000000-e110c520cd3a24a99528
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]-147.37248
predicted
DeepCCS 1.0 (2019)
[M+H]+149.73048
predicted
DeepCCS 1.0 (2019)
[M+Na]+157.5956
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:59 / Updated at February 21, 2021 18:54