Bispyrithione magsulfexProduct ingredient for Dipyrithione
- Name
- Bispyrithione magsulfex
- Drug Entry
- Dipyrithione
Dipyrithione, a bactericidal and fungicidal pyrithione derivate, was formulated as Crimanex anti-dandruff shampoo, but is no longer available.6 It is currently used as a pesticide, and not used in any FDA approved drug products.3
Interestingly, dipyrithione has been studied and shown to have cytotoxic and potent broad-spectrum antitumor activity, which suggests a potential basis for an anticancer drug development.1
Pyrithione derivatives, such as Pyrithione and sodium pyrithione, are widely used as cosmetic preservatives and as anti-dandruff agents in shampoos.1 It may be combined with other ingredients, such as triclosan to serve as antifungal and antibacterial skin treatments.9
Dandruff is a common scalp disease affecting >40% of the world's adult population, and may be caused by fungi such as Malassezia globosa and M. restricta.4
- Accession Number
- DBSALT002654
- Structure
Structure for Bispyrithione magsulfex (DBSALT002654)
- Synonyms
- (2,2'-Dithiodipyridine 1,1'-dioxide)sulfatomagnesium trihydrate / Bispyrithione magsulfex trihydrate / Dipyrithione magnesium sulfate trihydrate / Omadine MDS
- UNII
- 48H0YX0NT4
- CAS Number
- 67182-81-4
- Weight
- Average: 426.71
Monoisotopic: 425.97118526 - Chemical Formula
- C10H14MgN2O9S3
- InChI Key
- FNJVKRQYEQVPLK-UHFFFAOYSA-L
- InChI
- InChI=1S/C10H8N2O2S2.Mg.H2O4S.3H2O/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;1-5(2,3)4;;;/h1-8H;;(H2,1,2,3,4);3*1H2/q;+2;;;;/p-2
- IUPAC Name
- magnesium(2+) 2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium-1-olate trihydrate sulfate
- SMILES
- O.O.O.[Mg++].[O-]S([O-])(=O)=O.[O-][N+]1=CC=CC=C1SSC1=[N+]([O-])C=CC=C1
- External Links
- ChemSpider
- 10128604
- ChEMBL
- CHEMBL2106674
- Predicted Properties
Property Value Source Water Solubility 0.0511 mg/mL ALOGPS logP 0.5 ALOGPS logP 0.83 Chemaxon logS -3.7 ALOGPS pKa (Strongest Basic) 0.55 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 53.88 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 63.28 m3·mol-1 Chemaxon Polarizability 23.22 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon