Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.663 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C1=C(O)C=C(C)C(Cl)=C1
InChI
InChIKey=KFZXVMNBUMVKLN-UHFFFAOYSA-N
InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.663 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionSources: http://www.ncbi.nlm.nih.gov/pubmed/16835130Curator's Comment: description was created based on several sources, including:
http://www.hull.ac.uk/php/chsanb/BactWeb/Antiinfectives.pdf
http://www.drugfuture.com/chemdata/CHLOROTHYMOL.html
Sources: http://www.ncbi.nlm.nih.gov/pubmed/16835130
Curator's Comment: description was created based on several sources, including:
http://www.hull.ac.uk/php/chsanb/BactWeb/Antiinfectives.pdf
http://www.drugfuture.com/chemdata/CHLOROTHYMOL.html
Chlorothymol is a derivate of thymol. Thymol is a known antifungal agent, which was applied as a dusting powder for superficial infections now only found as a general antimicrobial agent used in mouthwashes. Chlorothymol more potent germicide, but severely irritating to the mucous membranes. It is used in cosmetic biocides, denaturants, deodorant agents, oral care agents, and preservatives. Chlorothymol was not considered an ocular irritant. Chlorothymol was nonmutagenic compound in the paper-disk method using E. coli. No adverse reactions were noted during the course of the study of AMA Laboratories in 1996 performed to assess the skin irritation and sensitization of an OTC topical cream. OTC topical cream containing 0.032% Chlorothymol under semiocclusion was considered a nonprimary irritant and a nonprimary sensitizer.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2093866 Sources: http://www.ncbi.nlm.nih.gov/pubmed/10492903 |
|||
Target ID: GABAA receptor Sources: http://www.ncbi.nlm.nih.gov/pubmed/23456454 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Palliative | kLEO EAR CLEANER Approved UseRoutine cleaning and removal of ear wax and debris from ears |
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| Palliative | Karvol Plus Approved UseIt is primarily used to improve the patient's ability to breathe while sleeping, allowing the patient to sleep deeper and with less disturbances when suffering from a nasal congestion and colds. |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Lipophilicity of some GABAergic phenols and related compounds determined by HPLC and partition coefficients in different systems. | 2009-04-05 |
|
| Acaricidal activities of some essential oils and their monoterpenoidal constituents against house dust mite, Dermatophagoides pteronyssinus (Acari: Pyroglyphidae). | 2006-12 |
|
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006-11 |
|
| Final report on the safety assessment of sodium p-chloro-m-cresol, p-chloro-m-cresol, chlorothymol, mixed cresols, m-cresol, o-cresol, p-cresol, isopropyl cresols, thymol, o-cymen-5-ol, and carvacrol. | 2006 |
|
| Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay. | 2001-02 |
Patents
| Substance Class |
Chemical
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| Record UNII |
LJ25TI0CVT
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Validated (UNII)
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EPA PESTICIDE CODE |
80403
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NCI_THESAURUS |
C28394
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m3443
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89-68-9
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406261
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C77040
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DTXSID2041547
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6982
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4964
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CHEMBL1441646
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1363702
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201-930-1
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LJ25TI0CVT
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SUB13338MIG
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100000080097
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ACTIVE MOIETY |