≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCN1CCOCCOCCN2CCN(CC2)C3=NC4=CC=CC=C4SC5=CC=CC=C53)C6=NC7=CC=CC=C7SC8=CC=CC=C86.Cl.Cl.Cl.Cl |
|---|---|
| IUPAC Name | 6-[4-[2-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]piperazin-1-yl]benzo[b][1,4]benzothiazepine;tetrahydrochloride |
| InChIKey | RKXLSRBGMPZLNK-UHFFFAOYSA-N |
| INCHI | 1S/C40H44N6O2S2.4ClH/c1-5-13-35-31(9-1)39(41-33-11-3-7-15-37(33)49-35)45-21-17-43(18-22-45)25-27-47-29-30-48-28-26-44-19-23-46(24-20-44)40-32-10-2-6-14-36(32)50-38-16-8-4-12-34(38)42-40;;;;/h1-16H,17-30H2;4*1H |
| Isomeric SMILES | C1CN(CCN1CCOCCOCCN2CCN(CC2)C3=NC4=CC=CC=C4SC5=CC=CC=C53)C6=NC7=CC=CC=C7SC8=CC=CC=C86.Cl.Cl.Cl.Cl |
| PubChem CID | 76764702 |
| Molecular Weight | 850.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazepines |
| Subclass | Dibenzothiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzothiazepines |
| Alternative Parents | Diarylthioethers N-alkylpiperazines Imidolactams Benzenoids Trialkylamines Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboxamidines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzothiazepine - Diarylthioether - Aryl thioether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid amidine - Dialkyl ether - Amidine - Ether - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - 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 |
| Molecular Weight | 850.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 850.2 Da |
| Monoisotopic Mass | 848.203 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 5 |
![1,2-Bis(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethane tetrahydrochloride - ≥95% CAS No(1923194-81-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1035267.jpg)