9-Chloro-dibenzo[b,f][1,4]thiazepin-11(10H)-one

CAS: 1798293-04-5

Ref. TR-C365278

Información del producto

• Nombre: 9-Chloro-dibenzo[b,f][1,4]thiazepin-11(10H)-one
• Sinónimos: 9-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one
• Marca: TRC

Descripción

Applications 9-Chloro-dibenzo[b,f][1,4]thiazepin-11(10H)-one is an intermediate in the synthesis of 9-Chloro Quetiapine (C366040). 9-Chloro Quetiapine is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia.
References Kumar, K., et al.: Org. Chem.: An Indian Journal, 8, 164 (2012); Raju, I., et al.: Chromatographia, 70, 545 (2009)

Propiedades químicas

• Peso molecular: 261.73
• Fórmula: C₁₃H₈ClNOS
• Color/Forma: Neat
• InChI: InChI=1S/C13H8ClNOS/c14-9-5-3-7-11-12(9)15-13(16)8-4-1-2-6-10(8)17-11/h1-7H,(H,15,16)
• Clave InChI: InChIKey=WGEJTQBZTQFFAE-UHFFFAOYSA-N
• SMILES: O=C1Nc2c(Cl)cccc2Sc2ccccc21