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

What is the Flaxedil?

The molecule Flaxedil presents a molecular formula of C30H60N3O3+++ and its IUPAC name is 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium.

Flaxedil is a sympathomimetic agent that is used to treat hypertension (high blood pressure) and angina (chest pain). It belongs to a class of drugs known as alpha-adrenergic agonists, which work by activating alpha-adrenergic receptors in the body. Activation of these receptors can cause blood vessels to constrict, leading to an increase in blood pressure and a decrease in blood flow to the heart. By constricting blood vessels and increasing blood pressure, flaxedil can improve the perfusion of the heart and reduce the symptoms of angina..

Flaxedil is typically administered orally in the form of tablets or capsules. It is absorbed quickly from the gastrointestinal tract and has a rapid onset of action. Flaxedil is effective at reducing blood pressure and improving symptoms of angina in clinical studies..

Flaxedil can cause side effects in some individuals, including headache, dizziness, and gastrointestinal upset. It can also cause nervousness and agitation and should be used with caution in patients with anxiety or a history of substance abuse. It is important to follow the dosing and usage instructions provided by a healthcare provider and report any side effects to a healthcare professional..


From all the above, flaxedil is a useful and effective sympathomimetic agent that is used to treat hypertension and angina. Its ability to activate alpha-adrenergic receptors and constrict blood vessels can improve blood flow to the heart and reduce the symptoms of angina. However, it can cause side effects and should be used with caution..

3D structure

Cartesian coordinates

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

2D drawing


Flaxedil OZLPUNFFCJDMJD-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium
InChI codeInChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3

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.

  • 2,2',2''-(1,2,3-Benzenetriyltrisoxy)tris(N,N,N-triethylethanaminium)
  • 2,2',2''-(benzene-1,2,3-triyltris(oxy))tris(N,N,N-triethylethan-1-aminium)
  • 2-[2,3-bis[2-(triethylammonio)ethoxy]phenoxy]ethyl-triethylammonium
  • 2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium
  • 2-[2,6-bis(2-triethylammonioethoxy)phenoxy]ethyl-triethyl-azanium
  • 2-[2,6-bis(2-triethylazaniumylethoxy)phenoxy]ethyl-triethylazanium
  • 7006-17-9
  • AB00053799
  • AB00053799-08
  • AB00053799-09
  • AB00053799_10
  • AB00053799_11
  • BDBM50149891
  • BPBio1_000324
  • BSPBio_000294
  • BSPBio_002058
  • Benzkurin
  • CCG-204640
  • DivK1c_000650
  • Ethanaminium, 2,2',2''-(benzene-1,2,3-triyltris(oxy))tris(N,N,N-triethyl-
  • Flaxedil
  • GTPL356
  • Gallamin triethiodide
  • Gallamine Triethiiodide
  • Gallamine iodide
  • Gallamine triiodoethylate
  • Gallamone triethiodide
  • HMS2089F21
  • IDI1_000650
  • KBio1_000650
  • KBio2_001303
  • KBio2_003871
  • KBio2_006439
  • KBio3_001278
  • KBioGR_000962
  • KBioSS_001303
  • L001056
  • Lopac G 8134
  • Lopac G-8134
  • Lopac-G-8134
  • Lopac0_000550
  • NCGC00015482-01
  • NCGC00015482-02
  • NCGC00015482-03
  • NCGC00015482-04
  • NCGC00015482-05
  • NCGC00015482-16
  • NCGC00162183-01
  • NCGC00163245-01
  • NINDS_000650
  • Prestwick0_000157
  • Prestwick1_000157
  • Prestwick2_000157
  • Prestwick3_000157
  • Q27077765
  • SBI-0050533.P004
  • Triethylgallamine
  • Triiodoethylate de gallamine
  • VYJ027LZ05
  • gallamine-triethiodide

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC3830882
  • CAS-65-29-2
  • UNII-VYJ027LZ05
  • DTXSID5048392
  • CHEMBL360055
  • CHEBI:94609
  • SPBio_001096
  • SPBio_002233
  • SCHEMBL12638600
  • Spectrum_000823
  • Spectrum2_001078
  • Spectrum3_000439
  • Spectrum4_000561
  • Spectrum5_000748

Physico-Chemical properties

IUPAC name2-[2,3-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium
Molecular formulaC30H60N3O3+++
Molecular weight510.816
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity153.99
Topological polar surface area27.7

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.