Flumazenil acid - Moligand™,≥99% , CAS No.84378-44-9

CAS: 84378-44-9 Cat. No.: F648923 Peso molecular: 275.24 PubChem CID: 134757

GRADE & PURITY Moligand™, ≥99%

Synonyms

8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid | DTXSID60233357 | 2- Amino-cyclopropylbenzene | 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo- | 4H-Imidazo[1,5-a]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Flumazenil acid is a metabolite of Flumazenil. Flumazenil is a GABAA receptor antagonist .

Specifications

Sinónimos

8-Fluoro-5-methyl-6-oxo-5, 6-dihydro-4H-benzo[f]imidazo[1, 5-a][1, 4]diazepine-3-carboxylic acid | DTXSID60233357 | 2- Amino-cyclopropylbenzene | 4H-Imidazo(1, 5-a)(1, 4)benzodiazepine-3-carboxylic acid, 8-fluoro-5, 6-dihydro-5-methyl-6-oxo- | 4H-Imidazo[1, 5-a]

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Flumazenil acid is a metabolite of Flumazenil. Flumazenil is a GABAA receptor antagonist.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)O
• IUPAC Name: 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
• InChIKey: SFVXVWJBSJCRJO-UHFFFAOYSA-N
• INCHI: 1S/C13H10FN3O3/c1-16-5-10-11(13(19)20)15-6-17(10)9-3-2-7(14)4-8(9)12(16)18/h2-4,6H,5H2,1H3,(H,19,20)
• Isómeros SMILES: CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)O
• PubChem CID: 134757
• Peso molecular: 275.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,5-a][1,4]benzodiazepines
• Alternative Parents: 1,4-diazepines Carbonylimidazoles Aryl fluorides Benzenoids N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Imidazole-4-carbonyl group - Aryl fluoride - Aryl halide - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Imidazole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (454.15 mM; Need ultrasonic)
• Sensibilidad: Moisture sensitive
• Peso molecular: 275.230 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 275.071 Da
• Monoisotopic Mass: 275.071 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 433.000
• 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