Details
Stereochemistry | ACHIRAL |
Molecular Formula | Ca.2Cl.2H2O |
Molecular Weight | 147.015 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Cl-].[Cl-].[Ca++]
InChI
InChIKey=LLSDKQJKOVVTOJ-UHFFFAOYSA-L
InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
Molecular Formula | Ca |
Molecular Weight | 40.078 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/24604256http://www.codifa.it/farmaci/e/elmex-gel-dentale-gel-olaflur-e-dectaflur-e-sodio-fluoruro-anticarieCurator's Comment: description was created based on several sources, including
https://www.drugs.com/international/olaflur.html | https://www.ncbi.nlm.nih.gov/pubmed/15528912 | https://clinicaltrials.gov/ct2/show/record/NCT00268138 | https://www.old.health.gov.il/units/pharmacy/trufot/alonim/4872.pdf
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24604256http://www.codifa.it/farmaci/e/elmex-gel-dentale-gel-olaflur-e-dectaflur-e-sodio-fluoruro-anticarie
Curator's Comment: description was created based on several sources, including
https://www.drugs.com/international/olaflur.html | https://www.ncbi.nlm.nih.gov/pubmed/15528912 | https://clinicaltrials.gov/ct2/show/record/NCT00268138 | https://www.old.health.gov.il/units/pharmacy/trufot/alonim/4872.pdf
Olaflur (amine fluoride 297, trade name elmex gel) is a fluoride-containing substance that is an ingredient of toothpastes and solutions for the prevention of dental caries. Especially in combination with dectaflur, it is also used in the form of gels for the treatment of early stages of caries, sensitive teeth, and by dentists for the refluoridation of damaged tooth enamel. Olaflur is a salt consisting of an alkyl ammonium cation and fluoride as the counterion. With a long lipophilic hydrocarbon chain, the cation has surfactant properties. It forms a film layer on the surface of teeth, which facilitates incorporation of fluoride into the enamel. The top layers of the enamel's primary mineral, hydroxylapatite, are converted into the more robust fluorapatite. The fluoridation reaches only a depth of a few nanometres, which has raised doubts whether the mechanism really relies on the formation of fluorapatite.
CNS Activity
Originator
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
An improved method for emergent decontamination of ocular and dermal hydrofluoric acid splashes. | 2004 Aug |
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Epidemiology of 377 patients with chemical burns in Guangdong province. | 2004 Sep |
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Successful extracorporeal life support after potentially fatal pulmonary oedema caused by inhalation of nitric and hydrofluoric acid fumes. | 2007 Oct |
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Sensitivity of human dental pulp cells to eighteen chemical agents used for endodontic treatments in dentistry. | 2013 Jan |
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Oleylamine as a beneficial agent for the synthesis of CoFe₂O₄ nanoparticles with potential biomedical uses. | 2014 May 7 |
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Cytotoxicity of organic surface coating agents used for nanoparticles synthesis and stability. | 2015 Jun |
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Allergic contact cheilitis caused by olaflur in toothpaste. | 2017 Jan |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6936207
toxicity in mice: LD50 = 888 mg/kg
Route of Administration:
Intraperitoneal
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25746383
Cytotoxicity study: it was explored the cytotoxicity of the coating agent, Oleylamine in two cell lines, human epidermal keratinocyte (HaCaT) and lung fibroblast (CRL-1490) cells, at surface coating agent concentrations of 3, 10, 30, and 100 μM. Two exposure time points, 2 h, and 24 h were employed for the study. Oleylamine, is highly toxic, leading to almost 100% cell death.
Substance Class |
Chemical
Created
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Record UNII |
M4I0D6VV5M
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Record Status |
Validated (UNII)
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WHO-ATC |
G04BA03
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WHO-VATC |
QG04BA03
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WHO-ATC |
A12AA07
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WHO-VATC |
QA12AA07
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EPA PESTICIDE CODE |
75605
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CFR |
21 CFR 172.330
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CFR |
21 CFR 184.1193
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WHO-VATC |
QB05XA07
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WHO-ATC |
B05XA07
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NCI_THESAURUS |
C29730
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100000090106
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634
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SUB11767MIG
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M4I0D6VV5M
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1086436
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D002122
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DTXSID6044195
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CALCIUM CHLORIDE
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10035-04-8
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86158
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CHEMBL1200668
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C1505
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CONCEPT | Dietary Supplement | ||
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4201
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21 CFR 176.300
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M4I0D6VV5M
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m2931
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PRIMARY | Merck Index | ||
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SUB12664MIG
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C28901
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221069
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ALTERNATIVE |
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SOLVATE->ANHYDROUS |
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ANHYDROUS->SOLVATE |
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ACTIVE MOIETY |
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