阿立哌唑

CAS 129722-12-9C23H27Cl2N3O2MW 448.4

阿立哌唑（CAS 129722-12-9）：分子式 C23H27Cl2N3O2、分子量 448.4。

产品概览

CAS号	129722-12-9
分子式	C23H27Cl2N3O2
分子量	448.4
熔点	137-140
沸点	139.0-139.5 °C
LogP	4.6
应用领域	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)

应用领域

登记用途：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)。

技术档案

这个产品是什么

阿立哌唑是一种化工化合物，登记 CAS 号为 129722-12-9，分子式 C23H27Cl2N3O2（分子量 448.4）。

识别信息

登记 CAS 号：129722-12-9

其分子式 C23H27Cl2N3O2 由 23 个碳、27 个氢、2 个氯、3 个氮、2 个氧组成。

别名/同义词：阿立哌唑 · Aripiprazole

常见问题

阿立哌唑的 CAS 号是多少？

阿立哌唑的 CAS 登记号为 129722-12-9。

阿立哌唑的分子式与分子量是多少？

分子式 C23H27Cl2N3O2，分子量 448.4。

阿立哌唑还有哪些别名？

别名/同义词：阿立哌唑、Aripiprazole。

阿立哌唑的登记用途是什么？

PubChem 公开数据

阿立哌唑（CAS 129722-12-9）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

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

计算分子描述符

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

在册的理化数值

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

在册的记载用途

同义词与商品名

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 危害分类

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]

公开数据库对它的描述

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

物理形态与操作说明

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。