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Quetiapine-[d4] fumarate

General Information
Catalog: BLP-013116
CAS: 1287376-15-1
Molecular Formula: C25H25D4N3O6S
Molecular Weight: 503.60
Chemical Structure
Quetiapine-[d4] fumarate
Description An isotope labelled form of Quetiapine fumarate, a 5-HT receptor antagonist, which is widely used as an antipsychotic drug.
Synonyms 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol-d4 (2E)-2-Butenedioate
IUPAC Name 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol;(E)-but-2-enedioic acid
Related CAS 1331636-50-0 111974-72-2 (unlabelled)
Canonical SMILES C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
InChI InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/i14D2,16D2;
InChI Key VRHJBWUIWQOFLF-SQGQDMBVSA-N
Purity 98%
Solubility 10 mM in DMSO
Appearance Powder
Application The isotope labelled form of Quetiapine fumarate.
Shelf Life As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage -20ºC Freeze

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