- Package
- 50 mg
- Purity
- 95%
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CAS Number: 111974-69-7
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CAS Number
111974-69-7
PubChem CID
5002
Molecular Formula
C21H25N3O2S
Molecular Weight
383.5 g/mol
Exact Mass
383.166748
InChIKey
URKOMYMAXPYINW-UHFFFAOYSA-N
IUPAC Name
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
SMILES String
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
Water Solubility
49.4 mol/L
pKa
7.06
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Quetiapine (CAS 111974-69-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C21H25N3O2S and molecular weight 383. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Histamine H1 receptor (Homo sapiens) — 9 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 8 assays; 5-hydroxytryptamine receptor 2A (Homo sapiens) — 15 assays; Alpha-1A adrenergic receptor (Rattus norvegicus) — 2 assays; Alpha-2B adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Histamine H1 receptor
Homo sapiens · SINGLE PROTEIN · 9 qualifying assays · 9 documents · best pChEMBL 8.34
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 3 documents · best pChEMBL 7.7
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 2A
Homo sapiens · SINGLE PROTEIN · 15 qualifying assays · 12 documents · best pChEMBL 7.51
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.46
Experimental evidence source: ChEMBL
Alpha-2B adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 7.34
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Quetiapine is identified by CAS 111974-69-7, with molecular formula C21H25N3O2S, molecular weight 383.5, InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Histamine H1 receptor, Alpha-1A adrenergic receptor, 5-hydroxytryptamine receptor 2A, Alpha-1A adrenergic receptor, Alpha-2B adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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