Camylofine-chlorhydrate

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

What is the Camylofine-chlorhydrate?

The molecule Camylofine-chlorhydrate presents a molecular formula of C17H14F3N3O2S and its IUPAC name is 3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate.

Camylofine-chlorhydrate is a molecule that can be found in the body. It is a natural substance that is produced by the body and is necessary for the proper functioning of the body. Camylofine-chlorhydrate is a part of the cell membranes and is necessary for the proper function of the cells. Camylofine-chlorhydrate is also a part of the DNA and is necessary for the proper function of the DNA..

3D structure

Cartesian coordinates

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

2D drawing

 

Camylofine-chlorhydrate RZEKVGVHFLEQIL-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Camylofine-chlorhydrate

 

Molecule descriptors

 
IUPAC name3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
InChI codeInChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChI KeyRZEKVGVHFLEQIL-UHFFFAOYSA-N
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)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.

  • Camylofine-chlorhydrate
  • camylofine-chlorhydrate

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC19369230

Physico-Chemical properties

IUPAC name3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
Molecular formulaC17H14F3N3O2S
Molecular weight381.372
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity89.96
LogP5.3
Topological polar surface area86.4

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.