An inactive metabolite of quetiapine
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Quetiapine Sulfoxide

Item No. 42035

Technical Information
Formal Name
11-(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepine 5-oxide
CAS Number
329216-63-9
Molecular Formula
C21H25N3O3S
Formula Weight
Purity
≥95%
A solid
DMSO: Sparingly soluble: 1-10 mg/mlEthanol: Sparingly soluble: 1-10 mg/mlPBS (pH 7.2): Slightly soluble: 0.1-1 mg/ml
SMILES
O=S1C2=C(N=C(N3CCN(CC3)CCOCCO)C4=C1C=CC=C4)C=CC=C2
InChi Code
InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChi Key
FXJNLPUSSHEDON-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    Product Description

    Quetiapine sulfoxide is an inactive metabolite of the atypical antipsychotic quetiapine (Item No. 14152).1 Quetiapine sulfoxide is formed from quetiapine via the cytochrome P450 (CYP) isoform CYP3A.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Bakken, G.V., Rudberg, I., Christensen, H., et alMetabolism of quetiapine by CYP3A4 and CYP3A5 in presence or absence of cytochrome B5. Drug Metab. Dispos. 37(2), 254-258 (2009).