CAS 329218-14-6

1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, hydrochloride (1:2)

Description:

1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, hydrochloride (1:2) is a chemical compound characterized by its complex structure, which includes a piperazine moiety and a dibenzo[b,f][1,4]thiazepine core. This compound typically exhibits properties associated with both piperazine and thiazepine derivatives, such as potential psychoactive effects and interactions with neurotransmitter systems. The hydrochloride salt form indicates that it is a hydrochloride, which often enhances solubility in water and may influence its pharmacokinetic properties. The presence of the piperazine group suggests possible applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting central nervous system disorders. Additionally, the compound's unique structural features may contribute to its biological activity, making it a subject of interest in research related to drug design and development. As with many synthetic compounds, safety and handling precautions should be observed, and its use should be guided by appropriate regulatory standards.

Formula: C₁₉H₂₁N₃OS

InChI: InChI=1S/C19H21N3OS.2ClH/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19;;/h1-8,23H,9-14H2;2*1H

InChI key: InChIKey=OXKMTOMGUPCOBA-UHFFFAOYSA-N

SMILES: C(CO)N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1.Cl

Synonyms:

• 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, dihydrochloride
• 1-Piperazineethanol, 4-dibenzo[b,f][1,4]thiazepin-11-yl-, hydrochloride (1:2)
• Des-hydroxyethyl Quetiapine
• Quetiapine Fumarate EP Impurity I
• Quetiapine Hydroxy Impurity Dihydrochloride Salt
• Desethoxy Quetiapine
• 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol Hydrochloride

Quetiapine Hydroxy Impurity Dihydrochloride Salt

Controlled Product

CAS: 329218-14-6

Impurity Quetiapine EP Impurity I
Applications An impurity of Quetiapine (Q510000), an antipsychotic. Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties (1). Neuroprotective product. Metabolic clearance occurs through cytochrome P450 primarily (2).
References 1. Warawa, E. et al.: J. Med. Chem. 2001 Feb 1;44(3):372-89.2. Grimm, S. et al.: Br J Clin Pharmacol. 2006 Jan;61(1):58-69.

Formula: C₁₉H₂₁N₃OS·2ClH

Color and Shape: Neat

Molecular weight: 412.38

Ref: TR-Q510010

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol hydrochloride

CAS: 329218-14-6

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol hydrochloride is a drug product that is custom synthesized for research and development purposes. It has been shown to be an active metabolite of diazepam with a half life of 3 hours and low toxicity. 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol hydrochloride is used as an analytical standard in the pharmaceutical industry. This compound has been studied in metabolism studies and pharmacopoeia. It has also been shown to have antiinflammatory properties.

Formula: C₁₉H₂₃Cl₂N₃OS

Purity: Min. 95%

Color and Shape: Off-white solid.

Molecular weight: 412.38 g/mol

Ref: 3D-ID27364

Desethoxy Quetiapine hydrochloride

CAS: 329218-14-6

Desethoxy quetiapine, an active metabolite of the atypical antipsychotic quetiapine, primarily forms through the action of the cytochrome P450 (CYP) isoform CYP3A5. This compound binds to dopamine D2 receptors with an IC50 value of 1,330 nM. In vivo, desethoxy quetiapine at dosages of 20 and 40 mg/kg mitigates dopamine receptor agonist apomorphine-induced climbing behavior and ameliorates swimming deficits in mice, showcasing its potential modulatory effects on dopamine-mediated behaviors.

Formula: C₁₉H₂₁N₃OSHCl

Color and Shape: Solid

Molecular weight: 412.38

Ref: TM-T84947