Molecular properties
- Formula
- C21H25N3O2S
- Molar mass
- 383.52 g·mol−1
- Exact mass
- 383.1667 Da
- 11
- PubChem CID
- 5002
Molecule record
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
C21H25N3O2S
383.52 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Aromatic ring
Ether
Sulfide
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 111974-69-7
- 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
- 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
- Atrolak xl
- BGL0JSY5SI
- Biquelle xl
- Brancico xl
- CHEBI:8707
Show all 24 synonyms
- DTXCID903546
- DTXSID9023546
- Ebesque xl
- Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
- Mintreleq xl
- NSC-758918
- Norsic
- Psyquet xl
- Quetiapine extended release
- Seotiapim xl
- Seroquel XL
- Sondate xl
- Tenprolide xl
- quetiapina
- quetiapine
- quetiapinum
Structure identifiers
- Canonical SMILES
- OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
- Isomeric SMILES
- C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
- InChI
- InChI=1S/C21H25N3O2S/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/h1-8,25H,9-16H2
- InChIKey
- URKOMYMAXPYINW-UHFFFAOYSA-N
- PubChem CID
- 5002
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.