Kebuzone - ≥98% , CAS No.853-34-9

CAS: 853-34-9 Cat. No.: K357102 Molecular Weight: 322.36 EC Number: 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

Overview

Product Describtion:

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

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504750716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750716
• Canonical Smiles: 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
• Isomeric SMILES: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >85° C (dec.)
• Molecular Weight: 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