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Details

Stereochemistry ACHIRAL
Molecular Formula 2Br.Ca
Molecular Weight 199.886
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM BROMIDE

SMILES

[Ca++].[Br-].[Br-]

InChI

InChIKey=WGEFECGEFUFIQW-UHFFFAOYSA-L
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
elmex

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
toxicity in mice: LD50 = 888 mg/kg
Route of Administration: Intraperitoneal
In Vitro Use Guide
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
Record UNII
87CNY2EEBH
Record Status Validated (UNII)
Record Version