Felbinac ethyl

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

What is the Felbinac ethyl?

The molecule Felbinac ethyl presents a molecular formula of C16H16O2 and its IUPAC name is ethyl 2-(4-phenylphenyl)acetate.

Felbinac ethyl is a non-steroidal anti-inflammatory drug (NSAID) that is used to relieve pain and inflammation. It is a member of the fenamate class of NSAIDs. Fenamates work by inhibiting the production of prostaglandins, which are compounds that play a role in pain and inflammation..

Felbinac ethyl exists as a tablet, capsule, and solution (liquid) to take by mouth. It is usually taken two or three times a day with food. To reduce your risk of stomach bleeding and other side effects, take felbinac ethyl at the lowest effective dose for the shortest possible time. Do not take more of it, take it more often, or take it for a longer time than prescribed by your doctor..

If you are taking felbinac ethyl to treat arthritis, it may take up to two weeks for you to notice the full benefit of the drug. If you are taking felbinac ethyl to treat menstrual pain, it will usually start to work within a few hours..

Common side effects of felbinac ethyl include stomach pain, diarrhea, and headache. Felbinac ethyl can also cause dizziness. Do not drive or operate heavy machinery until you know how felbinac ethyl affects you..

Felbinac ethyl may interact with other medications. Tell your doctor all prescription and over-the-counter medications and supplements you take. Felbinac ethyl should be used with caution in people with heart disease, high blood pressure, kidney disease, or liver disease. It is not recommended for use during pregnancy..

Felbinac ethyl is a safe and effective medication when used as directed. Talk to your doctor if you have any concerns about taking felbinac ethyl..

3D structure

Cartesian coordinates

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

2D drawing

 

Felbinac ethyl NPPJLSILDPVHCM-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Felbinac ethyl

 

Molecule descriptors

 
IUPAC nameethyl 2-(4-phenylphenyl)acetate
InChI codeInChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChI KeyNPPJLSILDPVHCM-UHFFFAOYSA-N
SMILESCCOC(=O)Cc1ccc(-c2ccccc2)cc1

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.

  • (1,1'-BIPHENYL)-4-ACETIC ACID, ETHYL ESTER
  • (1,1'-Biphenyl)-4-acetic acid ethyl ester
  • 062E238
  • 14062-23-8
  • 4-BIPHENYLACETIC ACID, ETHYL ESTER
  • 4-Biphenylacetic acid ethyl ester
  • 4-biphenylylacetic acid ethyl ester
  • 978ZPS989U
  • A807667
  • Acetic acid, (4-biphenylyl)-, ethyl ester
  • BDBM442805
  • BRN 2052035
  • Biphenyl-4-ylacetic acid ethyl ester
  • CS-0361363
  • D01841
  • DIATEC
  • DSSTox_CID_26160
  • DSSTox_GSID_46160
  • DSSTox_RID_81391
  • Daitac
  • Ethyl (4'-biphenyl)acetate
  • Ethyl (4-biphenylyl)acetate
  • Ethyl 2-([1,1'-biphenyl]-4-yl)acetate
  • Ethyl p-biphenylylacetate
  • Ethyl2-([1,1'-biphenyl]-4-yl)acetate
  • FT-0652949
  • Felbinac ethyl
  • Felbinac ethyl (JAN)
  • Felbinac ethyl ester
  • LJC-10253
  • LM 001
  • LM-001
  • MFCD01740348
  • NCGC00160454-01
  • Q27271986
  • SR-01000944969
  • SR-01000944969-1
  • ethyl 2-(4-phenylphenyl)acetate
  • ethyl 2-(biphenyl-4-yl)acetate
  • ethyl 4-biphenylacetate
  • ethyl 4-biphenylyl acetate
  • ethyl 4-biphenylylacetate
  • felbinac-ethyl
  • felbinacethyl

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC2019360
  • CAS-14062-23-8
  • UNII-978ZPS989U
  • AKOS001253929
  • DTXSID3046160
  • CHEMBL1886408
  • CHEBI:31598
  • Tox21_111824
  • SCHEMBL3227634

Physico-Chemical properties

IUPAC nameethyl 2-(4-phenylphenyl)acetate
Molecular formulaC16H16O2
Molecular weight240.297
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity72.55
LogP3.5
Topological polar surface area26.3

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.