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

What is the (R)-Ketazolam?

The molecule (R)-Ketazolam presents a molecular formula of C20H17ClN2O3 and its IUPAC name is (12bR)-11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione.

R-Ketazolam is a molecule of the benzodiazepine class, which are used as anxiolytics, sedatives, and hypnotics. Benzodiazepines act by binding to the GABA receptors in the brain, which leads to increased inhibition of the nervous system. R-Ketazolam is a newer benzodiazepine, and has a longer half-life than other drugs in its class. This means that it stays in the body for a longer period of time and has a greater risk of accumulation and toxicity. R-Ketazolam should be used with caution in patients with liver or kidney disease, as these conditions can increase the levels of the drug in the body..

3D structure

Cartesian coordinates

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

2D drawing


(R)-Ketazolam PWAJCNITSBZRBL-HXUWFJFHSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name(12bR)-11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione
InChI codeInChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3/t20-/m1/s1

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.

  • (R)-Ketazolam

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC2012726

Physico-Chemical properties

IUPAC name(12bR)-11-chloro-2,8-dimethyl-12b-phenyl-6H-[1,3]oxazino[3,2-d][1,4]benzodiazepine-4,7-dione
Molecular formulaC20H17ClN2O3
Molecular weight368.814
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity105.56
Topological polar surface area49.9

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.