U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula Ca.S
Molecular Weight 72.143
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM SULFIDE

SMILES

[S--].[Ca++]

InChI

InChIKey=AGVJBLHVMNHENQ-UHFFFAOYSA-N
InChI=1S/Ca.S/q+2;-2

HIDE SMILES / InChI

Molecular Formula HS
Molecular Weight 33.073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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
Allergic contact cheilitis caused by olaflur in toothpaste.
2017-01
Cytotoxicity of organic surface coating agents used for nanoparticles synthesis and stability.
2015-06
Oleylamine as a beneficial agent for the synthesis of CoFe₂O₄ nanoparticles with potential biomedical uses.
2014-05-07
Sensitivity of human dental pulp cells to eighteen chemical agents used for endodontic treatments in dentistry.
2013-01
Successful extracorporeal life support after potentially fatal pulmonary oedema caused by inhalation of nitric and hydrofluoric acid fumes.
2007-10
Epidemiology of 377 patients with chemical burns in Guangdong province.
2004-09
An improved method for emergent decontamination of ocular and dermal hydrofluoric acid splashes.
2004-08
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 18:16:55 GMT 2025
Edited
by admin
on Mon Mar 31 18:16:55 GMT 2025
Record UNII
1MBW07J51Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM SULFIDE
INCI   MI   WHO-DD  
INCI  
Official Name English
HEPAR SULPHURIS CALCAREUM
HPUS  
Preferred Name English
CALCIUM SULFIDE [MI]
Common Name English
Calcium sulfide [WHO-DD]
Common Name English
CALCIUM SULPHIDE
Common Name English
HEPAR SULPHURIS CALCAREUM [HPUS]
Common Name English
Code System Code Type Description
SMS_ID
300000044689
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
DRUG BANK
DB11211
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
FDA UNII
1MBW07J51Q
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
MESH
C033907
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
CAS
20548-54-3
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
MERCK INDEX
m2979
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID30885140
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
DAILYMED
1MBW07J51Q
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
243-873-5
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
PUBCHEM
10197613
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
RXCUI
90521
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY RxNorm
WIKIPEDIA
CALCIUM SULFIDE
Created by admin on Mon Mar 31 18:16:55 GMT 2025 , Edited by admin on Mon Mar 31 18:16:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY