Kebuzone - ≥98% , CAS No.853-34-9

CAS: 853-34-9 Cat. No.: K357102 Peso molecular: 322.36 Número EC: 212-715-7

GRADE & PURITY ≥98%

Synonyms

1,2-Diphenyl-4-(gamma-ketobutyl)-3,5-pyrazolidinedione | Chepirol | HY-111284 | Ketophenylbutazonum | EINECS 212-715-7 | Kebuzonum [INN-Latin] | Chebutan | Ketophenylbutazone (JAN) | 1,2-Diphenyl-4-(2-acetylethyl)pyrazolidine-3,5-dione | FT-0670606 | Kebu

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Describtion:

Kebuzone is a non-steroidal anti-inflammatory substance that may be studied in inflammatory diseases such as thrombophlebitis and rheumatoid arthritis

Specifications

Sinónimos

1, 2-Diphenyl-4-(gamma-ketobutyl)-3, 5-pyrazolidinedione | Chepirol | HY-111284 | Ketophenylbutazonum | EINECS 212-715-7 | Kebuzonum [INN-Latin] | Chebutan | Ketophenylbutazone (JAN) | 1, 2-Diphenyl-4-(2-acetylethyl)pyrazolidine-3, 5-dione | FT-0670606 | Kebu

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504750716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750716
• Sonrisas canónicas: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
• InChIKey: LGYTZKPVOAIUKX-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
• Isómeros SMILES: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
• Peso molecular: 322.36
• Reaxy-Rn: 308507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=308507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrazolidinones 1,3-dicarbonyl compounds Ketones Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyrazolidinone - 1,3-dicarbonyl compound - Pyrazolidine - Carboxylic acid hydrazide - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: pyrazolidines - methyl ketone

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >85° C (dec.)
• Peso molecular: 322.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 322.132 Da
• Monoisotopic Mass: 322.132 Da
• Topological Polar Surface Area: 57.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 457.000
• 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