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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
Structure of Calcium Chloride

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

HIDE SMILES / InChI

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

Description
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

Sources: Helvetica Odontologica Acta (1962), 6, (1), 15-20.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
elmex

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
An improved method for emergent decontamination of ocular and dermal hydrofluoric acid splashes.
2004 Aug
Epidemiology of 377 patients with chemical burns in Guangdong province.
2004 Sep
Successful extracorporeal life support after potentially fatal pulmonary oedema caused by inhalation of nitric and hydrofluoric acid fumes.
2007 Oct
Sensitivity of human dental pulp cells to eighteen chemical agents used for endodontic treatments in dentistry.
2013 Jan
Oleylamine as a beneficial agent for the synthesis of CoFe₂O₄ nanoparticles with potential biomedical uses.
2014 May 7
Cytotoxicity of organic surface coating agents used for nanoparticles synthesis and stability.
2015 Jun
Allergic contact cheilitis caused by olaflur in toothpaste.
2017 Jan
Patents

Patents

Sample Use Guides

toxicity in mice: LD50 = 888 mg/kg
Route of Administration: Intraperitoneal
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
by admin
on Mon Mar 31 17:59:06 GMT 2025
Edited
by admin
on Mon Mar 31 17:59:06 GMT 2025
Record UNII
M4I0D6VV5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calcium Chloride
FCC   II   INCI   ORANGE BOOK   USP   USP-RS   VANDF  
INCI   USP  
Official Name English
Calcium chloride dihydrate
EP   MI   VANDF   WHO-DD  
Preferred Name English
CALCIUM CHLORIDE DIHYDRATE [MI]
Common Name English
MultiBic component calcium chloride dihydrate
Brand Name English
CALCIUM CHLORIDE DIHYDRATE [EP MONOGRAPH]
Common Name English
CALCAREA MURIATICA [HPUS]
Common Name English
Calcium chloride dihydrate [WHO-DD]
Common Name English
CALCIUM CHLORIDE [USP-RS]
Common Name English
CALCIUM CHLORIDE [VANDF]
Common Name English
CALCIUM CHLORIDE DIHYDRATE [VANDF]
Common Name English
CALCIUM CHLORIDE HYDRATE [JAN]
Common Name English
CALCAREA MURIATICA
HPUS  
Common Name English
CALCIUM CHLORIDE [FCC]
Common Name English
CALCIUM CHLORIDE [II]
Common Name English
CALCIUM CHLORIDE [USP MONOGRAPH]
Common Name English
CALCIUM CHLORIDE [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
WHO-ATC G04BA03
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
WHO-VATC QG04BA03
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
WHO-ATC A12AA07
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
WHO-VATC QA12AA07
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
EPA PESTICIDE CODE 75605
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
CFR 21 CFR 172.330
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
CFR 21 CFR 184.1193
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
WHO-VATC QB05XA07
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
WHO-ATC B05XA07
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
NCI_THESAURUS C29730
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
Code System Code Type Description
SMS_ID
100000090106
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
GRAS Notification (GRN No.)
634
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
EVMPD
SUB11767MIG
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
DAILYMED
M4I0D6VV5M
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
RS_ITEM_NUM
1086436
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
MESH
D002122
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID6044195
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
WIKIPEDIA
CALCIUM CHLORIDE
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
CAS
10035-04-8
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
CHEBI
86158
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
ChEMBL
CHEMBL1200668
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
GRAS Notification (GRN No.)
785
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
PUBCHEM
24844
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
DRUG BANK
DB01164
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
RXCUI
1901
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
ALTERNATIVE
NCI_THESAURUS
C1505
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
CONCEPT Dietary Supplement
DRUG CENTRAL
4201
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
CFR
21 CFR 176.300
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
FDA UNII
M4I0D6VV5M
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
RXCUI
221068
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
MERCK INDEX
m2931
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY Merck Index
EVMPD
SUB12664MIG
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
NCI_THESAURUS
C28901
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
CHEBI
3312
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
PRIMARY
RXCUI
221069
Created by admin on Mon Mar 31 17:59:06 GMT 2025 , Edited by admin on Mon Mar 31 17:59:06 GMT 2025
ALTERNATIVE
Related Record Type Details
SOLVATE->ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY