Kebuzone

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Kebuzone are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Kebuzone?

The molecule Kebuzone presents a molecular formula of C19H18N2O3 and its IUPAC name is 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione.

Kebuzone is a nonsteroidal anti-inflammatory drug (NSAID) that is used to relieve pain, inflammation, and fever. It is a member of the propionic acid class of NSAIDs, which includes drugs such as ibuprofen and naproxen..

The kebuzone molecule is composed of a propionic acid moiety and a p-phenylenediamine moiety, which are connected by a carbon chain. It works by inhibiting the activity of cyclooxygenase (COX) enzymes, which are responsible for the synthesis of prostaglandins. Prostaglandins are substances that are involved in the inflammation process, and inhibiting their synthesis can help to reduce inflammation and pain..

Kebuzone is typically taken orally, and is available in both tablet and capsule form. It is generally well-tolerated, but it can have side effects, including stomach pain, heartburn, and allergic reactions. It should be used with caution in patients with a history of gastrointestinal disorders, as it can increase the risk of ulcers and bleeding..

Summary

From all the above, kebuzone is a nonsteroidal anti-inflammatory drug that is used to relieve pain, inflammation, and fever. It works by inhibiting the activity of COX enzymes and is generally well-tolerated, but should be used with caution in certain patient populations. It is available in both tablet and capsule form and is typically taken orally..

3D structure

Cartesian coordinates

Geometry of Kebuzone in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Kebuzone LGYTZKPVOAIUKX-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Kebuzone

 

Molecule descriptors

 
IUPAC name4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
InChI codeInChI=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
InChI KeyLGYTZKPVOAIUKX-UHFFFAOYSA-N
SMILESCC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 1,2-Diphenyl-4-(3'-oxobutyl)-3,5-dioxopyrazolidine
  • 1,2-Diphenyl-4-(gamma-ketobutyl)-3,5-pyrazolidinedione
  • 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(3-oxobutyl)-
  • 4-(3-Oxobutyl)-1,2-diphenyl-3,5-pyrazolidinedione
  • 4-(3-oxobutyl)-1,2-di(phenyl)pyrazolidine-3,5-dione
  • 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
  • 4VD83UL6Y6
  • 853-34-9
  • BRN 0308507
  • CETOPHENYLBUTAZONE
  • CS-0034815
  • Copirene
  • Chebutan
  • Chepirol
  • Chetazolidin
  • Chetil
  • D01567
  • DB08940
  • FT-0670606
  • HY-111284
  • Hichillos
  • KEBUZONE
  • Kebuzone
  • Kebuzone (INN)
  • Kebuzonum
  • Keobutane-jade
  • Ketason
  • Ketazone
  • Ketazone; Ketophenylbutazone; Pecnon; Phloguron; Recheton
  • Ketophenylbutazone (JAN)
  • Ketophenylbutazonum
  • NCGC00510940-01
  • Pecnon
  • Q1105900
  • Quebuzona
  • Recheton
  • kebuzon
  • ketophenylbutazone

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC100004242
  • UNII-4VD83UL6Y6
  • DTXSID00234500
  • CHEMBL2107720
  • CHEBI:31749
  • EINECS 212-715-7
  • SCHEMBL231224

Physico-Chemical properties

IUPAC name4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
Molecular formulaC19H18N2O3
Molecular weight322.358
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity97.96
LogP3.1
Topological polar surface area57.7

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.