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

What is the Tetrazepam?

The molecule Tetrazepam presents a molecular formula of C16H17ClN2O and its IUPAC name is 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one.

Tetrazepam is a benzodiazepine derivative that has anxiolytic, sedative, and anticonvulsant properties. It was first synthesized in 1960 and was patented in 1963. It is a Schedule IV drug in the United States and a Class C drug in the United Kingdom..

Tetrazepam is used for the short-term treatment of insomnia, anxiety, and seizures. It is effective for the treatment of anxiety and has a rapid onset of action. The most common side effects of tetrazepam are drowsiness, dizziness, and headache..

Tetrazepam is a Schedule IV drug in the United States and a Class C drug in the United Kingdom..

3D structure

Cartesian coordinates

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

2D drawing


Tetrazepam IQWYAQCHYZHJOS-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
InChI codeInChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3

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.

  • 10379-14-3
  • 4261 CB
  • 7-Chloro-5-(1-cyclohexen-1- yl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
  • 7-Chloro-5-(1-cyclohexen-1-yl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #
  • 7-Chloro-5-(1-cyclohexenyl)-1-methyl-2-oxo-2,3-dihydro-1H-(1,4)-benzo(f)diazepine
  • 7-Chloro-5-(cyclohexen-1-yl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
  • 7-chloro-5-(cyclohex-1-en-1-yl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one
  • 7-chloro-5-(cyclohex-1-en-1-yl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
  • 7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
  • BRN 0890548
  • CB 4261
  • CB-4261
  • CS-6656
  • Clinoxan
  • D07277
  • DB13324
  • DEA No. 2886
  • FO92091VP8
  • HY-101615
  • Musaril
  • Myolastan
  • Q421104
  • Ro 06-6657
  • Tetrazepam
  • Tetrazepam (INN)
  • Tetrazepam 0.1 mg/ml in Methanol
  • Tetrazepamum

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC2144
  • UNII-FO92091VP8
  • DTXSID00146058
  • CHEMBL2105527
  • CHEBI:135198
  • EINECS 233-837-7
  • SCHEMBL157998

Physico-Chemical properties

IUPAC name7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
Molecular formulaC16H17ClN2O
Molecular weight288.772
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity89.72
Topological polar surface area32.7

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.