1011758-06-7

Basic information

• Product Name: Ethyl Quetiapine Fumarate Salt
• Synonyms: Ethyl Quetiapine Fumarate Salt
• CAS NO: 1011758-06-7
• Molecular Formula: C27H33N3O6S
• Molecular Weight: 527.63242
• Mol File: 1011758-06-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• Storage Temp.: Refrigerator
• Solubility: Methanol (Slightly), Water (Slightly)
• CAS DataBase Reference: Ethyl Quetiapine Fumarate Salt(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl Quetiapine Fumarate Salt(1011758-06-7)
• EPA Substance Registry System: Ethyl Quetiapine Fumarate Salt(1011758-06-7)

Safety Data

• Hazardous Substances Data: 1011758-06-7(Hazardous Substances Data)

Usage

Description

Ethyl Quetiapine Fumarate Salt is a pale yellow solid that is an impurity of Quetiapine Hemifumarate (Q510000), an atypical antipsychotic agent used for the treatment of patients with schizophrenia, bipolar disorder, and major depressive disorder.

Uses

Used in Pharmaceutical Industry:
Ethyl Quetiapine Fumarate Salt is used as an impurity in the production of Quetiapine Hemifumarate, an atypical antipsychotic agent for the treatment of patients with schizophrenia, bipolar disorder, and major depressive disorder. Its presence in the production process is important for ensuring the quality and efficacy of the final product.

Upstream product

• 74-96-4 ethyl bromide 
• 111974-72-2 quetiapine fumarate 

Relevant articles and documents

Identification, isolation, synthesis and characterization of impurities of quetiapine fumarate

In the process for the preparation of quetiapine fumarate (1), six unknown impurities and one known impurity (intermediate) were identified ranging from 0.05-0.15% by reverse-phase HPLC. These impurities were isolated from crude samples using reverse-phase preparative HPLC. Based on the spectral data, the impurities were characterized as 2-[4-dibenzo[b,f][1,4]thiazepine-11-yl-1- piperazinyl]1-2-ethanol (impurity I, desethanol quetiapine), 11-[(N-formyl)-1-piperazinyl]-dibenzo[b,f][1,4]thiazepine (impurity II, N-formyl piperazinyl thiazepine), 2-(2-hydroxy ethoxy)ethyl-2-[2-[4-dibenzo[b,f][1,4] thiazepine-11-piperazinyl-1-carboxylate (impurity III, quetiapine carboxylate), 11-[4-ethyl-1-piperazinyl]dibenzo [b,f][1,4] thiazepine (impurity IV, ethylpiperazinyl thiazepine), 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1- piperazinyl)ethoxy]1-ethyl ethanol [impurity V, ethyl quetiapine), 1,4-bis[dibenzo[b,f][1,4]thiazepine-11-yl] piperazine [impurity VI, bis(dibenzo)piperazine]. The known impurity was an intermediate, 11-piperazinyl-dibenzo [b,f][1,4]thiazepine (piperazinyl thiazepine). The structures were established unambiguously by independent synthesis and co-injection in HPLC to confirm the retention times. To the best of our knowledge, these impurities have not been reported before. Structural elucidation of all impurities by spectral data (1H NMR, 13C NMR, MS and IR), synthesis and formation of these impurities are discussed in detail.