ClozapineN-Oxide - 10mM in DMSO , CAS No.34233-69-7

CAS: 34233-69-7 Cat. No.: C580348 Formula: C₁₈H₁₉ClN₄O Peso molecolare: 342.82 Numero EC: 636-446-3

GRADE & PURITY 10mM in DMSO

Synonyms

N-Oxyclozapine | s4107 | UNII-MZA8BK588J | 1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile | BC162765 | BDBM50279241 | 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 8-Chloro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

N-Oxyclozapine | s4107 | UNII-MZA8BK588J | 1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile | BC162765 | BDBM50279241 | 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 8-Chloro

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Synthetic ligand for human muscarinic engineered receptors, designer receptors activated by designer drugs (DREADD). Binds and activates hM3Dqand hM4DiDREADDsin vitroandin vivo. Metabolite ofclozapine. Shown to be a P-glycoprotein (P-gp) efflux pump subst

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]
• WGK Germania: 3
• RTECS: HP1760000
• Peso molecolare: 342.82
• Reaxy-Rn: 7044724
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7044724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodiazepines
      • Subclass Dibenzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (umani)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Liver microsome (341 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 6.86, Max Conc. mM: 20
• Punto di fusione (°C): 212-214℃
• Peso molecolare: 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

Domande frequenti

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34233-69-7, the molecular formula is C18H19ClN4O, and the molecular weight is 342.82 g/mol. InChIKey OGUCZBIQSYYWEF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.