Products 1076199-40-0

CAS 1076199-40-0 appears in our catalog under these names: Quetiapine EP Impurity H (Quetiapine USP Related Compound H, Quetiapine N-Oxide), Quetiapine Impurity H (EP), 2-(2-(4-(Dibenzo(b,f)(1,4)thiazepin-11-yl)-1-oxidopiperazin-1-yl)ethoxy)ethanol (Quetiapine N-Oxide), Quetiapine N-Oxide, >95% (HPLC), Quetiapine N–Oxide. Offered by: Chemat Brand, Mikromol, TRC, GLPBio, Biosynth. Available pack sizes: on request, 50mg, 1mg, 25mg, 5mg, 2mg, 10mg, 25 mg.

2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol (CAS 1076199-40-0) is a chemical compound with the molecular formula C21H25N3O3S and a molecular weight of 399.5 g/mol. IUPAC name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol. InChIKey: VVBXDYFGQNNTDS-UHFFFAOYSA-N.

Identity
Molecular formulaC21H25N3O3S
Molecular weight399.5 g/mol
IUPAC name2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol
InChIKeyVVBXDYFGQNNTDS-UHFFFAOYSA-N
SMILESC1C[N+](CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)(CCOCCO)[O-]

Computed by PubChem (NCBI)