Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
| Sonrisas canónicas | C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-] |
|---|---|
| IUPAC Name | 3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine |
| InChIKey | OGUCZBIQSYYWEF-UHFFFAOYSA-N |
| INCHI | 1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 |
| Isómeros SMILES | C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-] |
| WGK Alemania | 3 |
| RTECS | HP1760000 |
| Peso molecular | 342.82 |
| Reaxy-Rn | 7044724 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7044724&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzodiazepines |
| Subclass | Dibenzodiazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzodiazepines |
| Alternative Parents | 1,4-benzodiazepines N-methylpiperazines Aryl chlorides Benzenoids Imidolactams Trialkyl amine oxides Trisubstituted amine oxides and derivatives Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organic oxides Organic zwitterions |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dibenzodiazepine - 1,4-benzodiazepine - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Imidolactam - Piperazine - Benzenoid - Trialkyl amine oxide - Azacycle - Carboxylic acid amidine - Organic 1,3-dipolar compound - Secondary amine - Trisubstituted n-oxide - Amidine - N-oxide - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 6.86, Max Conc. mM: 20 |
|---|---|
| Punto de fusión (°C) | 212-214℃ |
| Peso molecular | 342.800 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 342.125 Da |
| Monoisotopic Mass | 342.125 Da |
| Topological Polar Surface Area | 45.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 491.000 |
| 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 | 1 |