Clotrimazole

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

What is the Clotrimazole?

The molecule Clotrimazole presents a molecular formula of C₂₂H₁₇ClN₂ and its IUPAC name is 1-[(2-chlorophenyl)-diphenylmethyl]imidazole.

Clotrimazole is an antifungal medication that is used to treat fungal infections of the skin, mouth, throat, and vagina. It is also used to treat ringworm, athlete's foot, and jock itch. Clotrimazole exists as a cream, lotion, or troche (lozenge). The cream and lotion are applied to the skin and the troche is dissolved in the mouth..

Clotrimazole is in a class of medications called azole antifungals. It works by preventing the growth of fungus..

Clotrimazole can be used in children as young as 1 month old..

Do not use clotrimazole if you are allergic to it..

To use clotrimazole, apply a thin layer of the cream, lotion, or ointment to the affected area and rub it in gently. To use the troche, dissolve it in your mouth before swallowing..

Clotrimazole is usually used for 2 to 4 weeks. Follow the directions on your prescription label carefully, and ask your doctor or pharmacist to explain any part you do not understand. Use clotrimazole exactly as directed. Do not use more or less of it or use it more often than prescribed by your doctor..

Do not use clotrimazole on a child younger than 2 years old without the advice of a doctor..

To treat a vaginal yeast infection, insert the applicator into the vagina and press the plunger to release the medication..

To treat athlete's foot, jock itch, or ringworm, apply the cream, lotion, or powder to the affected area and rub it in gently..

To treat a skin yeast infection, apply the cream, lotion, or powder to the affected area and rub it in gently..

The troche is used to treat oral thrush. Dissolve the lozenge in your mouth before swallowing..

To prevent a vaginal yeast infection, apply the cream around the outside of the vagina once a day for 3 days in a row starting at the beginning of your period or when you notice vaginal discharge that is yellow or green in color..

Do not have vaginal intercourse during treatment with clotrimazole..

Do not use clotrimazole for longer than 7 days in a row. If your symptoms do not improve within 3 days, or if they get worse, stop using the medication and call your doctor..

If you are using clotrimazole to treat athlete's foot, jock itch, or ringworm, you should start to see improvement within 2 to 3 days. If you do not see improvement within 2 to 3 days, or if your symptoms get worse, call your doctor..

If you are using clotrimazole to treat a vaginal yeast infection, you may have itching and burning of the vagina and vulva, a thick, white vaginal discharge, and pain during sexual intercourse. These symptoms should improve within 3 days. If they do not improve within 3 days or if you have new symptoms, stop using the medication and call your doctor..

If you are using clotrimazole to treat oral thrush, you should start to see improvement within 2 days. If you do not see improvement within 2 days, or if your symptoms get worse, call your doctor..

Call your doctor if your symptoms do not improve or if they get worse..

Do not use clotrimazole for longer than 7 days in a row..

Do not use clotrimazole vaginal cream, suppository, or troche if you are pregnant. If you think you may be pregnant, stop using this medication and call your doctor..

Do not use clotrimazole vaginal cream, suppository, or troche if you are breast-feeding a baby. If you are using the vaginal cream, do not have vaginal intercourse or use other vaginal products (such as tampons, douches, or spermicides) during your treatment..

Some brands of clotrimazole vaginal cream, suppository, or troche are not for use during pregnancy or while breast-feeding. Ask your doctor or pharmacist about using this product safely..

Do not use clotrimazole vaginal cream, suppository, or troche to treat a vaginal yeast infection if you are pregnant..

Do not use clotrimazole vaginal cream, suppository, or troche to treat a vaginal yeast infection if you are breast-feeding a baby..

The vaginal cream, suppository, and troche are not for use in the mouth..

Do not use clotrimazole vaginal cream, suppository, or troche to treat a vaginal yeast infection if you have ever had chlamydia, gonorrhea, or another sexually transmitted infection..

Do not use clotrimazole vaginal cream, suppository, or troche.

3D structure

Cartesian coordinates

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

2D drawing

Molecule descriptors

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.

Reference codes for other databases

• CAS number (Chemical Abstracts Service Registry Number) is a unique identifier is assigned to every chemical compound indexed in the CAS database.
• Beilstein: The Beilstein database is a comprehensive source of information on organic chemistry, including information on chemical structures, properties, and reactions. The Beilstein database assigns unique identifiers which can be used to identify compounds in scientific literature and other sources.
• ChEBI (Chemical Entities of Biological Interest): ChEBI is a database of small chemical molecules that are of interest in the field of biology.
• PubChem CID (Compound Identifier): PubChem is a database of chemical compounds that is maintained by the National Institutes of Health (NIH).
• RTECS number (Registry of Toxic Effects of Chemical Substances): The RTECS is a database of information on the toxic effects of chemicals, including information on their structures and properties.
• ChEMBL (Compound Bioactivity Data): ChEMBL is a database of bioactivity data for small molecules, including information on their properties and structures.
• CompTox Dashboard (Environmental Protection Agency): The CompTox Dashboard is a database of information on the toxicology and environmental effects of chemicals.

Physico-Chemical properties

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (K_ow) data is applied in toxicology and drug research. K_ow 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(K_ow) (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 Ų are required. Thus, molecules with a polar surface area greater than 140 Ų tend to be poorly permeable to cell membranes.