| Field | Specification |
|---|---|
| Alternative names | Quetiapine S-oxide hydrochloride |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C21H26ClN3O3S |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Quetiapine sulfoxide hydrochloride, also known as Quetiapine S-oxide hydrochloride, is a main metabolite of Quetiapine, a second-generation antipsychotic[1]. Quetiapine acts as a 5-HT receptor agonist and a dopamine receptor antagonist[2]. It is supplied as a light yellow to yellow solid (C21H26ClN3O3S, MW 435.97).
Physical & Chemical Properties
| CAS Number | 2448341-72-6 |
|---|---|
| Molecular Formula | C21H26ClN3O3S |
| Molecular Weight | 435.97 g/mol |
| Appearance | Solid |
| Color | Light yellow to yellow |
| SMILES | OCCOCCN(CC1)CCN1C2=NC(C=CC=C3)=C3S(C4=C2C=CC=C4)=O.Cl[H] |
| Signaling Pathway | Metabolic Enzyme/Protease |
| Storage | 4°C, sealed storage, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vivo
For Quetiapine sulfoxide, the estimated Cmax (mean±SD) is 77.3±32.4 ng/mL and the estimated AUClast is 1,286±458 ng•h/mL. The metabolic ratio of Quetiapine sulfoxide falls over time, from an average of 119% at 2 hours after dosing to an average of 30% at 72 hours after dosing[1].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Quetiapine competitively inhibits aldehyde oxidase-mediated reduction. Drug Metab Dispos 2025 Nov;53(11):100169. PMID: 41100927
