CAS 129722-25-4|7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one
| Common Name | 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one | ||
|---|---|---|---|
| CAS Number | 129722-25-4 | Molecular Weight | 446.370 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 654.4±55.0 °C at 760 mmHg |
| Molecular Formula | C23H25Cl2N3O2 | Melting Point | / |
| MSDS | / | Flash Point | 349.6±31.5 °C |
| Symbol | GHS02, GHS06, GHS08 | Signal Word | Danger |
Names
| Name | 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one |
|---|---|
| Synonym | More Synonyms |
BiologicalActivity
| Description | Dehydroaripiprazole (OPC-14857) is an active metabolite of Aripiprazole. Aripiprazole is an antipsychotic agent and is metabolized by CYP3A4 and CYP2D6 forming mainly Dehydroaripiprazole. Dehydroaripiprazole has with antipsychotic activity equivalent to Aripiprazole[1][2][3]. |
|---|---|
| Related Catalog | Research Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT Receptor |
| Target | 5-HT1A Receptor:4.2 nM (Ki) |
| References | [1]. Kirschbaum KM, et al. Serum levels of aripiprazole and dehydroaripiprazole, clinical response and side effects. World J Biol Psychiatry. 2008;9(3):212-8. [2]. Lin SK, et al. Aripiprazole and dehydroaripiprazole plasma concentrations and clinical responses in patients with schizophrenia. J Clin Psychopharmacol. 2011 Dec;31(6):758-62. [3]. Hui-ChingHuang, et al. Detection and quantification of aripiprazole and its metabolite, dehydroaripiprazole, by gas chromatography–mass spectrometry in blood samples of psychiatric patients. Journal of Chromatography B. Volume 856, Issues 1-2, 1 September 2007, Pages 57-61. [4]. Stip E, Tourjman V. et al. Aripiprazole in schizophrenia and schizoaffective disorder: A review. Clin Ther. 2010;32 Suppl 1:S3-20. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 654.4±55.0 °C at 760 mmHg |
| Molecular Formula | C23H25Cl2N3O2 |
| Molecular Weight | 446.370 |
| Flash Point | 349.6±31.5 °C |
| Exact Mass | 445.132385 |
| PSA | 48.57000 |
| LogP | 5.64 |
| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
| Index of Refraction | 1.605 |
| InChIKey | CDONPRYEWWPREK-UHFFFAOYSA-N |
| SMILES | O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2[nH]1 |
| Storage condition | ?20°C |
Safety Information
| Symbol | GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370-H412 |
| Precautionary Statements | P210-P280-P302 + P352 + P312-P304 + P340 + P312-P370 + P378-P403 + P235 |
| Hazard Codes | F,T |
| Risk Phrases | 11-23/24/25-39/23/24/25-52/53 |
| Safety Phrases | 16-36/37-45-61 |
| RIDADR | UN 3286 8(6.1)(3) / PGII |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Synonyms
| 7-{4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy}-2(1H)-quinolinone |
| dehydro aripiprazole |
| UNII-2S514OZH3B |
| QUI013 |
| 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- |
| 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}quinolin-2-ol |
| Aripiprazole Impurity 1 |
| Aripiprazole - Impurity E |
