Details
Stereochemistry | ACHIRAL |
Molecular Formula | C27H42NO2.Cl |
Molecular Weight | 448.081 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
InChI
InChIKey=UREZNYTWGJKWBI-UHFFFAOYSA-M
InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C27H42NO2 |
Molecular Weight | 412.6279 |
Charge | 1 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=0a6c9eee-ddbf-5cf5-e054-00144ff8d46cCurator's Comment: description was created based on several sources, including:
http://www.news-medical.net/news/2007/12/04/33135.aspx
https://en.wikipedia.org/wiki/Benzethonium_chloride
Sources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=0a6c9eee-ddbf-5cf5-e054-00144ff8d46c
Curator's Comment: description was created based on several sources, including:
http://www.news-medical.net/news/2007/12/04/33135.aspx
https://en.wikipedia.org/wiki/Benzethonium_chloride
Benzethonium chloride, also known as hyamine, is a synthetic quaternary ammonium salt. It has surfactant, antiseptic, and anti-infective properties and it is used as a topical antimicrobial agent in first aid antiseptics. It is also found in cosmetics and toiletries such as mouthwashes, anti-itch ointments, and antibacterial moist towelettes. Benzethonium chloride exhibits a broad spectrum of microbiocidal activity against bacteria, fungi, mold and viruses. The US Food and Drug Administration (FDA) specifies that the safe and effective concentrations for benzethonium chloride are 0.1-0.2% in first aid products. Aqueous solutions of benzethonium chloride are not absorbed through the skin. It is not approved in the US or Europe for use as a food additive. Being a quaternary ammonium salt, it is more toxic than negatively charged surfactants. However, in a two-year study on rats, there was no evidence of carcinogenic activity. Benzethonium chloride was characterized as a novel anticancer compound possessing both in vitro and in vivo efficacy justifying further investigation.
Approval Year
PubMed
Title | Date | PubMed |
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Effect of concentration and biochemical assay on the accuracy of urine dipsticks in hypertensive pregnancies. | 2001 |
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Application of an improved biuret method to the determination of total protein in urine and cerebrospinal fluid without concentration step by use of Hitachi 7170 auto-analyzer. | 2001 |
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[Study on separation of epirubicin and doxorubicin isomers by displacement chromatography]. | 2004 Mar |
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Evidence for concurrent effects of exposure to environmental cadmium and lead on hepatic CYP2A6 phenotype and renal function biomarkers in nonsmokers. | 2004 Nov |
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Urine protein estimation in hypertensive pregnancy: which thresholds and laboratory assay best predict clinical outcome? | 2005 |
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Susceptibilities to antiseptic agents and distribution of antiseptic-resistance genes qacA/B and smr of methicillin-resistant Staphylococcus aureus isolated in Asia during 1998 and 1999. | 2005 Jun |
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Comparative efficacy of hand hygiene agents in the reduction of bacteria and viruses. | 2005 Mar |
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Evaluation of an alcohol-based surgical hand disinfectant containing a synergistic combination of farnesol and benzethonium chloride for immediate and persistent activity against resident hand flora of volunteers and with a novel in vitro pig skin model. | 2007 Feb |
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Circulating plasma factors induce tubular and glomerular alterations in septic burns patients. | 2008 |
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Reduction of disinfectant bactericidal activities in clinically isolated Acinetobacter species in the presence of organic material. | 2008 Mar |
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Harnessing gene expression to identify the genetic basis of drug resistance. | 2009 |
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A facile synthesis of highly water-soluble, core-shell organo-silica nanoparticles with controllable size via sol-gel process. | 2009 Dec 15 |
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Clinical significance of EGFR, Her-2 and EGF in oral squamous cell carcinoma: a case control study. | 2010 Apr 29 |
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The relative toxicity of compounds used as preservatives in vaccines and biologics. | 2010 May |
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Correlation between reduced susceptibility to disinfectants and multidrug resistance among clinical isolates of Acinetobacter species. | 2010 Sep |
Patents
Sample Use Guides
For benzethonium (48 hour incubation), the dose required to reduce cell viability by 50% was 3.8 uM in FaDu (human hypopharyngeal squamous cancer), 42.2 uM in NIH 3T3 (untransformed mouse embryonic fibroblast), 5.3 uM in C666-1 (nasopharyngeal cancer), and 17.0 uM in GM05757 (primary normal human fibroblast) cells.
Substance Class |
Chemical
Created
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Record UNII |
PH41D05744
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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Food Contact Sustance Notif, (FCN No.) |
FCN NO. 460
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WHO-ATC |
D08AJ08
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WHO-VATC |
QD08AJ08
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WHO-ATC |
D08AJ58
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WHO-VATC |
QD08AJ58
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NCI_THESAURUS |
C28394
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EPA PESTICIDE CODE |
69122
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DBSALT001519
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204-479-9
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BENZETHONIUM CHLORIDE
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PH41D05744
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31264
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PH41D05744
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8478
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m2346
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1051500
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1170
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C77025
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SUB05746MIG
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567
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Related Record | Type | Details | ||
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SALT/SOLVATE -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE | |||
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SALT/SOLVATE -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |