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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13ClO
Molecular Weight 184.6629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROTHYMOL

SMILES

CC(C)c1cc(c(C)cc1O)Cl

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

HIDE SMILES / InChI

Description
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.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: GABAA receptor
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
kLEO EAR CLEANER

Approved Use

Routine cleaning and removal of ear wax and debris from ears
Palliative
Karvol Plus

Approved Use

It 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.
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.
2001 Feb
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
Acaricidal activities of some essential oils and their monoterpenoidal constituents against house dust mite, Dermatophagoides pteronyssinus (Acari: Pyroglyphidae).
2006 Dec
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Lipophilicity of some GABAergic phenols and related compounds determined by HPLC and partition coefficients in different systems.
2009 Apr 5
Patents

Patents

Sample Use Guides

0.2-0.4 ml (5-10 drops) in each ear twice daily as an adjunct to therapy, or 0.2 ml – 0.4 ml (5-10 drops) in each ear once or twice a week.
Route of Administration: Otic (auricular)
In Vitro Use Guide
Unknown
Name Type Language
CHLOROTHYMOL
INCI   MART.   MI   WHO-DD  
INCI  
Official Name English
4-CHLOROTHYMOL
Common Name English
6-CHLOROTHYMOL
Common Name English
PHENOL, 4-CHLORO-5-METHYL-2-(1-METHYLETHYL)-
Systematic Name English
CHLOROTHYMOL [MI]
Common Name English
CHLOROTHYMOL [INCI]
Common Name English
4-CHLORO-5-METHYL-2-(1-METHYLETHYL)PHENOL
Systematic Name English
4-CHLOR-2-ISOPROPYL-5-METHYLPHENOL
Common Name English
CHLOROTHYMOL [WHO-DD]
Common Name English
NSC-406261
Code English
CHLOROTHYMOL [MART.]
Common Name English
NSC-4964
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 80403
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
NCI_THESAURUS C28394
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
Code System Code Type Description
MERCK INDEX
M3443
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY Merck Index
CAS
89-68-9
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
NCI_THESAURUS
C77040
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
EPA CompTox
89-68-9
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
FDA UNII
LJ25TI0CVT
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
PUBCHEM
6982
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
ChEMBL
CHEMBL1441646
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
RXCUI
1363702
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY RxNorm
ECHA (EC/EINECS)
201-930-1
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY
EVMPD
SUB13338MIG
Created by admin on Sat Jun 26 09:46:52 UTC 2021 , Edited by admin on Sat Jun 26 09:46:52 UTC 2021
PRIMARY