Aripiprazole

CAS 129722-12-9C23H27Cl2N3O2MW 448.4

Aripiprazole (CAS 129722-12-9) — formula C23H27Cl2N3O2, molecular weight 448.4.

Product Overview

CAS Number	129722-12-9
Molecular Formula	C23H27Cl2N3O2
Molecular Weight	448.4
Melting Point	137-140
Boiling Point	139.0-139.5 °C
LogP	4.6
Applications	Uses: MEDICATION, Antipsychotic Agents, Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 85.2, For the treatment of schizophrenia and related psychotic disorders., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Aripiprazole Preparations [Table#6911], General Manufacturing Information: 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)

Applications

Documented applications: Uses: MEDICATION, Antipsychotic Agents, Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 85.2, For the treatment of schizophrenia and related psychotic disorders., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Aripiprazole Preparations [Table#6911], General Manufacturing Information: 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).

Technical Profile

What this product is

Aripiprazole is a chemical compound with CAS registry number 129722-12-9 and molecular formula C23H27Cl2N3O2 (molecular weight 448.4).

Identification

CAS number: 129722-12-9

Its molecular formula C23H27Cl2N3O2 comprises 23 C, 27 H, 2 Cl, 3 N, 2 O atoms.

Also known as: Aripiprazole · 阿立哌唑

Frequently Asked Questions

What is the CAS number of Aripiprazole?

The CAS registry number of Aripiprazole is 129722-12-9.

What is the molecular formula and molecular weight of Aripiprazole?

Molecular formula C23H27Cl2N3O2, molecular weight 448.4.

What other names is Aripiprazole known by?

It is also registered under: Aripiprazole, 阿立哌唑.

What are the documented applications of Aripiprazole?

Recorded applications: Uses: MEDICATION, Antipsychotic Agents, Use (kg, approx.) in Germany (2009): >100, Consumption (g per capita, approx.) in Germany (2009): 0.00122, Calculated removal (%): 85.2, For the treatment of schizophrenia and related psychotic disorders., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Aripiprazole Preparations [Table#6911], General Manufacturing Information: 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).

PubChem Public Data

Independent reference data for Aripiprazole (CAS 129722-12-9), compiled from public chemistry databases.

Registry identifiers across databases

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

Physicochemical values on record

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

Documented uses on record

Synonyms and trade names

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

GHS hazard classification

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

H301 (62.7%): Toxic if swallowed [Danger Acute toxicity, oral]

H302 (35.3%): Harmful if swallowed [Warning Acute toxicity, oral]

What the public record says

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

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.