Imidazenil , CAS No.151271-08-8

CAS: 151271-08-8 Cat. No.: I412945 Fórmula: C₁₈H₁₂BrFN₄O Peso molecular: 399.22

Synonyms

Imidazenil|151271-08-8|6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide|4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide, 6-(2-bromophenyl)-8-fluoro-|7N95V6864R|6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Imidazenil is a GABA-A modulator that blocks the sedative effects without lowering the convulsion threshold.

Especificações

Sinónimos

Imidazenil | 151271-08-8 | 6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide | 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxamide, 6-(2-bromophenyl)-8-fluoro- | 7N95V6864R | 6-(2-Bromophenyl)-8-fluoro-4H-imidazo(1,5-a)(1,4)benzodiazepine

Mecanismos bioquímicos e fisiológicos

Imidazenil is a GABA-A modulator that blocks the sedative effects without lowering the convulsion threshold.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Sorrisos canónicos

C1C2=C(N=CN2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4Br)C(=O)N

IUPAC Name

6-(2-bromophenyl)-8-fluoro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

InChIKey

OCJHYHKWUWSHEN-UHFFFAOYSA-N

INCHI

1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)

SMILES isoméricas

C1C2=C(N=CN2C3=C(C=C(C=C3)F)C(=N1)C4=CC=CC=C4Br)C(=O)N

Peso molecular

399.22

Reaxy-Rn

7775595

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7775595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,5-a][1,4]benzodiazepines
• Alternative Parents: 2-heteroaryl carboxamides 1,4-diazepines Bromobenzenes Carbonylimidazoles Aryl bromides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Organopnictogen compounds Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,5-a][1,4]benzodiazepine - 2-heteroaryl carboxamide - Para-diazepine - Bromobenzene - Imidazole-4-carbonyl group - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Primary carboxylic acid amide - Ketimine - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organofluoride - Organic oxygen compound - Organopnictogen compound - Imine - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organobromide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.
• 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

Propriedades químicas e físicas

• Peso molecular: 399.200 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 398.018 Da
• Monoisotopic Mass: 398.018 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 559.000
• 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

Perguntas frequentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 151271-08-8, the molecular formula is C18H12BrFN4O, and the molecular weight is 399.22 g/mol. InChIKey OCJHYHKWUWSHEN-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.