6-Methyl-griseofulvin

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for 6-Methyl-griseofulvin are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the 6-Methyl-griseofulvin?

The molecule 6-Methyl-griseofulvin presents a molecular formula of C17H17ClO5 and its IUPAC name is (2S,5'R)-7-chloro-3',4-dimethoxy-5',6-dimethylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione.

6-Methyl-griseofulvin is a molecule that is used in the treatment of fungal infections. It is a member of the class of drugs known as antifungals. 6-Methyl-griseofulvin is used to treat fungal infections of the skin, nails, and hair. It works by killing the fungus or preventing it from growing..

6-Methyl-griseofulvin exists as a cream, ointment, or solution. It is applied to the affected area of the skin, nails, or hair. The affected area should be clean and dry before application. 6-Methyl-griseofulvin should be used for the full prescribed length of time. Your symptoms may improve before the infection is completely cleared..

Fungal infections of the skin, nails, and hair are common. They can be caused by exposure to damp or wet conditions, such as sweaty shoes or showering in public places. Fungal infections can also be caused by certain medical conditions, such as diabetes..

6-Methyl-griseofulvin is an effective treatment for fungal infections of the skin, nails, and hair. It is important to use 6-Methyl-griseofulvin as directed by your doctor..

3D structure

Cartesian coordinates

Geometry of 6-Methyl-griseofulvin in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

6-Methyl-griseofulvin QNPINWFXONNRKM-XLFHBGCDSA-N chemical compound 2D structure molecule svg
6-Methyl-griseofulvin

 

Molecule descriptors

 
IUPAC name(2S,5'R)-7-chloro-3',4-dimethoxy-5',6-dimethylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
InChI codeInChI=1S/C17H17ClO5/c1-8-5-11(21-3)13-15(14(8)18)23-17(16(13)20)9(2)6-10(19)7-12(17)22-4/h5,7,9H,6H2,1-4H3/t9-,17+/m1/s1
InChI KeyQNPINWFXONNRKM-XLFHBGCDSA-N
SMILESCOC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(C)cc(OC)c1C2=O

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.

  • 6-Methyl-griseofulvin

Reference codes for other databases

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

Physico-Chemical properties

IUPAC name(2S,5'R)-7-chloro-3',4-dimethoxy-5',6-dimethylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Molecular formulaC17H17ClO5
Molecular weight336.767
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity85.06
LogP3.1
Topological polar surface area61.8

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.