CAS No 111974-69-7 , 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

Title: Quetiapine
CAS Registry Number: 111974-69-7
CAS Name: 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
Synonyms: 11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine
Molecular Formula: C21H25N3O2S
Molecular Weight: 383.51
Percent Composition: C 65.77%, H 6.57%, N 10.96%, O 8.34%, S 8.36%
Literature References: Combined serotonin (5HT2) and dopamine (D2) receptor antagonist. Prepn: E. J. Warawa, B. M. Migler, EP 240228; eidem, US 4879288 (1987, 1989 both to ICI). HPLC and GC/MS determn in plasma: R. H. Pullen et al., J. Chromatogr. 573, 49 (1992). Series of articles on pharmacology: Psychopharmacology 112, 285-307 (1993). Clinical evaluation in schizophrenia: H. Wetzel et al., ibid. 119, 231 (1995). Review of clinical experience: B. Green, Curr. Med. Res. Opin. 15, 145-151 (1999).
 
Derivative Type: Hemifumarate
CAS Registry Number: 111974-72-2
Manufacturers' Codes: ICI-204636
Trademarks: Seroquel (AstraZeneca)
Molecular Formula: (C21H25N3O2S)2.C4H4O4
Molecular Weight: 883.09
Percent Composition: C 62.56%, H 6.16%, N 9.52%, O 14.49%, S 7.26%
Properties: Crystals from ethanol, mp 172-173°.
Melting point: mp 172-173°
 
Therap-Cat: Antipsychotic.
Keywords: Antipsychotic; Other Tricyclics; Serotonin-Dopamine Antagonist.