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Chemical substance record

Eltoprazine

98224-03-4C12H16N2O2220.272 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A member of the class of piperazines that is 1,4-benzodioxane substituted by a piperazin-1-yl group at position 5. It exhibits strong antidyskinetic effects and was previously in clinical trials for the management of aggressive behaviours. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number98224-03-4ChEBI ↗
Molecular formulaC12H16N2O2ChEBI ↗
Molar mass220.272 g/molChEBI ↗
Monoisotopic mass220.12118 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:234413ChEBI ↗

Cross-source molecular data

PubChem
Molar mass220.27 g/molPubChem ↗
Exact mass220.121177757 DaPubChem ↗
Computed XLogP1.1PubChem ↗
Topological polar surface area (Ų)33.7PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
eltoprazine
1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
WVLHGCRWEHCIOT-UHFFFAOYSA-N
c1cc2c(c(N3CCNCC3)c1)OCCO2
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

Names & synonyms

1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazineeltoprazinaeltoprazinum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
piperazinesChEBI parent class · 26144 ↗tertiary amino compoundChEBI parent class · 50996 ↗benzodioxineChEBI parent class · 64096 ↗
organic heterocyclic compoundorganic molecular entity

Roles recorded in ChEBI

anxiolytic drugserotonergic agonistantidyskinesia agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00453984 mol

Uses 220.272 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 12 atoms
65.43%
O
Oxygen · 2 atoms
14.53%
N
Nitrogen · 2 atoms
12.72%
H
Hydrogen · 16 atoms
7.32%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Discriminative stimulus properties of eltoprazine in the pigeon. ↗Pharmacology, biochemistry, and behavior · 1999 Oct · PMID 10515324
The actions of the novel anti-aggressive drug eltoprazine on central neurones in the anaesthetised rat. ↗Neuropharmacology · 1990 Oct · PMID 1979428
WO2009156380 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
WO2011000563 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
WO2011000564 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:234413

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 65853 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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