Chemical substance record

Aripiprazole

129722-12-9C₂₃H₂₇Cl₂N₃O₂448.394 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	129722-12-9	ChEBI ↗
Molecular formula	C₂₃H₂₇Cl₂N₃O₂	ChEBI ↗
Molar mass	448.394 g/mol	ChEBI ↗
Monoisotopic mass	447.14803 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:31236	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	448.4 g/mol	PubChem ↗
Exact mass	447.1480325 Da	PubChem ↗
Computed XLogP	4.6	PubChem ↗
Topological polar surface area (Å²)	44.8	PubChem ↗
H-bond donors	1	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	7	PubChem ↗

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

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Source preferred name

aripiprazole

IUPAC name

7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one

InChIKey

CEUORZQYGODEFX-UHFFFAOYSA-N

SMILES

O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1

InChI

InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)

Names & synonyms

7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-oneAbilifyAbilify DiscmeltAbilify MaintenaAbilify MyCiteAbilitataripiprazolaripiprazolumArpizolAspritoDiscmeltPripiprazole

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

Classification & relationships

ChEBI ontology

dichlorobenzeneChEBI parent class · 23697 ↗quinoloneChEBI parent class · 23765 ↗aromatic etherChEBI parent class · 35618 ↗N-alkylpiperazineChEBI parent class · 46845 ↗N-arylpiperazineChEBI parent class · 46848 ↗delta-lactamChEBI parent class · 77727 ↗

ether organochlorine compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

antidepressantanxiolytic drugserotonergic agonistH1-receptor antagonistdrug metaboliteappetite enhancersecond generation antipsychotic

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

Amount

Input unit

Equivalent amount

0.00223018 mol

Uses 448.394 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 · 23 atoms

61.61%

Cl

Chlorine · 2 atoms

15.81%

N

Nitrogen · 3 atoms

9.37%

O

Oxygen · 2 atoms

7.14%

H

Hydrogen · 27 atoms

6.07%

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

The antipsychotic aripiprazole is a potent, partial agonist at the human 5-HT1A receptor. ↗European journal of pharmacology · 2002 Apr 26 · PMID 12063084

Aripiprazole, a novel atypical antipsychotic drug with a unique and robust pharmacology. ↗Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology · 2003 Aug · PMID 12784105

EP367141 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US5006528 · 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

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:31236

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

Additional molecular descriptorsNCBI PubChem · CID 60795 · 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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