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7-Hydroxyquetiapine , CAS No.139079-39-3
AVAILABLE TO ORDER
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
7-Hydroxyquetiapine (ICI 214227) is the major active metabolite of antipsychotic medicine Quetiapine.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
| Canonical Smiles | C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepin-2-ol |
| InChIKey | VEGVCHRFYPFJFO-UHFFFAOYSA-N |
| INCHI | 1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2 |
| Isomeric SMILES | C1CN(CCN1CCOCCO)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42 |
| WGK Germany | 1 |
| PubChem CID | 132203 |
| Molecular Weight | 399.51 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Benzothiazepines
- Subclass Dibenzothiazepines
- Class Benzothiazepines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazepines |
| Subclass | Dibenzothiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiazepines |
| Alternative Parents | Diarylthioethers N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids Imidolactams Trialkylamines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxamidines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiazepine - Diarylthioether - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid amidine - Dialkyl ether - Ether - Amidine - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Flash Point(°F) | 48.2 °F |
|---|---|
| Flash Point(°C) | 9 °C |
Solution Calculators
Reviews
Customer Reviews
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