Products 1330238-38-4

CAS 1330238-38-4 appears in our catalog under these names: Quetiapine Sulfoxide-d8, >95% (HPLC), Quetiapine Sulfoxide-d8. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg, 10 mg.

Quetiapine Sulfoxide-d8, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Quetiapine Sulfoxide-d8
MedChemExpress
  • size: 1 mg, 10 mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol (CAS 1330238-38-4) is a chemical compound with the molecular formula C21H25N3O3S and a molecular weight of 407.6 g/mol. IUPAC name: 2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol. InChIKey: FXJNLPUSSHEDON-PMCMNDOISA-N.

Identity
Molecular formulaC21H25N3O3S
Molecular weight407.6 g/mol
IUPAC name2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol
InChIKeyFXJNLPUSSHEDON-PMCMNDOISA-N
SMILES[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=NC3=CC=CC=C3S(=O)C4=CC=CC=C42)([2H])[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Quetiapine Sulfoxide-d8
Related forms of this compound
2-[2-[4-[(11S)-11-oxobenzo[b][1,4]benzothiazepin-6-yl]piperazin-1-yl]ethoxy]ethanol C21H25N3O3S
Isomers (same molecular formula)
2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol C21H25N3O3S
6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol C21H25N3O3S
6-[2,2,3,3,5,5,6,6-octadeuterio-4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol C21H25N3O3S
2-(2-piperidin-1-ylethoxy)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate C21H25N3O3S