Aripiprazole

Description

Aripiprazole · CAS 129722-12-9 · C23H27Cl2N3O2. UNII 82VFR53I78. Boiling Point: 139.0-139.5 °C; Melting Point: 137-140; Solubility: 0.00001%.

Identification

CAS Registry Number	129722-12-9
PubChem CID	60795
Molecular formula	C23H27Cl2N3O2
IUPAC name	7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
UNII (FDA)	82VFR53I78

Computed Descriptors

Molecular Weight	448.4
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	447.1480325
Monoisotopic Mass	447.1480325
Topological Polar Surface Area	44.8
Heavy Atom Count	30
Formal Charge	0

Physical & Chemical Properties

Boiling Point	139.0-139.5 °C
Melting Point	137-140
Solubility	0.00001%
Ionization Efficiency	4.39206747
Ionization Efficiency	2.7
Ionization Efficiency	MeCN (80%)
Ionization Efficiency	DOI:10.1002/rcm.8352
Dissociation Constants	7.6

Physical description & handling notes

• Solid
• Colorless, flake crystals from ethanol
• <0.3 [ug/mL] (The mean of the results at pH 7.4)
• Stable under recommended storage conditions.
• Positive
• Thermo LTQ

GHS Hazard Classification

Reported hazard statements	H301 (62.7%), H302 (35.3%), H361 (15.7%), H413 (13.7%), H226, H290, H311, H315

Documented Uses

• Use (kg; approx.) in Germany (2009): >100
• Consumption (g per capita; approx.) in Germany (2009): 0.00122
• For the treatment of schizophrenia and related psychotic disorders.
• 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone is refluxed with 1,4-dibromobutane plus K2CO3 in DMF to form the 7-(4-bromobutoxy) derivative which is condensed with 1-(3,4-dichlorophenyl)piperazine to yield the product.
• Preparation: Y. Oshiro et al., European Patent Office patent 367141; eidem, United States of America patent 5006528 (1990,1991 both to Otsuka).
• Information available in 2005 indicated that Aripiprazole was used in the manufacture of pharmaceutical preparations in the following countries: Australia, Germany, Mexico, Switzerland, United Kingdom, United States (1,2)

Synonyms

Aripiprazole; 129722-12-9; Abilify; Abilitat; OPC-14597; Abilify Discmelt; aripiprazol; Discmelt; Opc 14597; Aripiprex; Abilify MyCite; OPC 31; OPC-31; Abilify Maintena; 7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone; aripiprazolum

Frequently Asked Questions

What are the CAS number and molecular formula of Aripiprazole?

CAS 129722-12-9; molecular formula C23H27Cl2N3O2; molecular weight — g/mol.

What other names is Aripiprazole known by?

Aripiprazole, 129722-12-9, Abilify, Abilitat, OPC-14597, Abilify Discmelt.

Is Aripiprazole classified as hazardous?

Hazard statements reported: H301, H302, H361, H413, H226.

What are the key physical properties of Aripiprazole?

Boiling Point: 139.0-139.5 °C; Melting Point: 137-140; Solubility: 0.00001%; Ionization Efficiency: 4.39206747.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.