Products 1331636-50-0

CAS 1331636-50-0 is the registry number for Quetiapine-d4 Fumarate, >95% (HPLC). Offered by: TRC. Available pack sizes: 10mg, 1mg, 5mg.

Quetiapine-d4 Fumarate, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterioethoxy]ethanol;(E)-but-2-enedioic acid (CAS 1331636-50-0) is a chemical compound with the molecular formula C25H29N3O6S and a molecular weight of 503.6 g/mol. IUPAC name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterioethoxy]ethanol;(E)-but-2-enedioic acid. InChIKey: VRHJBWUIWQOFLF-QWVIKDOWSA-N.

Identity
Molecular formulaC25H29N3O6S
Molecular weight503.6 g/mol
IUPAC name2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterioethoxy]ethanol;(E)-but-2-enedioic acid
InChIKeyVRHJBWUIWQOFLF-QWVIKDOWSA-N
SMILES[2H]C([2H])(C([2H])([2H])OCCO)N1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

Computed by PubChem (NCBI)

Synonyms: Quetiapine-d4 Fumarate, Quetiapine-D4 hemifumarate, orb2281231
Related forms of this compound
2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid C25H29N3O6S
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid C25H29N3O6S
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol;(E)-but-2-enedioic acid C25H29N3O6S