Selenium Sulfide (T3D1820)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationXML
Record Information
Version2.0
Creation Date2009-06-22 16:08:39 UTC
Update Date2014-12-24 20:24:41 UTC
Accession NumberT3D1820
Identification
Common NameSelenium Sulfide
ClassSmall Molecule
DescriptionSelenium Sulfide is an antifungal agent as well as a cytostatic agent, slowing the growth of hyperproliferative cells in seborrhea. Selenium Sulfide is the active ingredient often used in shampoos for the treatment of dandruff, seborrheic dermatitis and tinea capitis, a fungal infection that is primarily a disease of preadolescent children.
Compound Type
  • Antifungal Agent
  • Cosmetic Toxin
  • Drug
  • Household Toxin
  • Inorganic Compound
  • Metabolite
  • Non-Metal
  • Pollutant
  • Selenium Compound
  • Synthetic Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Exsel Lotion Shampoo
Glo-Sel
Head & Shoulders Intensive Treatment
Selenium sulfide
Selenium sulfide red powder
Selenium sulphide
Selsun Blue
Versel Lotion
Chemical FormulaSSe
Average Molecular Mass111.030 g/mol
Monoisotopic Mass111.889 g/mol
CAS Registry Number7446-34-6
IUPAC Namesulfaneselone
Traditional Nameselenium sulfide
SMILESS=[Se]
InChI IdentifierInChI=1S/SSe/c1-2
InChI KeyInChIKey=VIDTVPHHDGRGAF-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal sulfides
Direct ParentOther non-metal sulfides
Alternative Parents
Substituents
  • Other non-metal sulfide
  • Inorganic selenide
  • Inorganic sulfide
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceOrange/yellow powder.
Experimental Properties
PropertyValue
Melting Point100°C
Boiling PointNot Available
SolubilityPractically insoluble
LogPNot Available
Predicted Properties
PropertyValueSource
logP0.53ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity22.55 m³·mol⁻¹ChemAxon
Polarizability5.1 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-08fr-0900000000-bd7b5dcd2865c40c76dc2017-09-01View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-fbb747a1677129bdb5b52016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-fbb747a1677129bdb5b52016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-fbb747a1677129bdb5b52016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-0900000000-f4141a1d16d309b44e252016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-0900000000-f4141a1d16d309b44e252016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-0900000000-f4141a1d16d309b44e252016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0900000000-bfe361a580471e602a382021-10-11View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0900000000-bfe361a580471e602a382021-10-11View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0900000000-bfe361a580471e602a382021-10-11View Spectrum
Toxicity Profile
Route of ExposureOral (6) ; Inhalation (6) ; Dermal (6) There is no substantial absorption through intact skin. Absorption has been reported in patients with open lesions on the scalp or in patients using a 1% cream on the back - a patient with scalp lesions that used selenium shampoos had a level of selenium sulfide as high as 32 μg/ml in her urine.
Mechanism of ToxicitySelenium sulfide can be decomposed to selenium ions. Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. (6)
MetabolismSelenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. (6)
Toxicity ValuesLD50: 138 mg/kg (Oral, Rat) (3)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (5)
Uses/SourcesSELSUN®, a liquid antiseborrheic, antifungal preparation for topical application. Treatment of tinea versicolor, seborrheic dermatitis of scalp and treatment of dandruff. (7)
Minimum Risk LevelChronic Oral: 0.005 mg/kg/day (4)
Health EffectsChronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. (6)
SymptomsNo documented reports of serious toxicity in humans resulting from acute ingestion of selenium sulfide, however, acute toxicity studies in animals suggest that ingestion of large amounts could result in potential human toxicity. (7)
TreatmentEvacuation of the stomach contents should be considered in cases of acute oral ingestion. (8)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDDB00971
HMDB IDHMDB15106
PubChem Compound ID24011
ChEMBL IDCHEMBL1200680
ChemSpider ID22444
KEGG IDNot Available
UniProt IDNot Available
OMIM ID
ChEBI IDNot Available
BioCyc IDNot Available
CTD IDNot Available
Stitch IDSelenium Sulfide
PDB IDNot Available
ACToR ID1295
Wikipedia LinkSelenium_sulfide
References
Synthesis ReferenceNot Available
MSDSLink
General References
  1. Johnson BA, Nunley JR: Treatment of seborrheic dermatitis. Am Fam Physician. 2000 May 1;61(9):2703-10, 2713-4. [10821151 ]
  2. Chen C, Koch LH, Dice JE, Dempsey KK, Moskowitz AB, Barnes-Eley ML, Hubbard TW, Williams JV: A randomized, double-blind study comparing the efficacy of selenium sulfide shampoo 1% and ciclopirox shampoo 1% as adjunctive treatments for tinea capitis in children. Pediatr Dermatol. 2010 Sep-Oct;27(5):459-62. doi: 10.1111/j.1525-1470.2010.01093.x. Epub 2010 Aug 24. [20735804 ]
  3. Kirk-Othmer Encyclopedia of Chemical Technology (1978-1984). 3rd ed. Volumes 1-26. New York, NY: John Wiley and Sons.
  4. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  5. International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
  6. ATSDR - Agency for Toxic Substances and Disease Registry (2003). Toxicological profile for selenium. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  7. Drugs.com [Link]
  8. RxList: The Internet Drug Index (2009). [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available