Bithionolate sodiumProduct ingredient for Bithionol
- Name
- Bithionolate sodium
- Drug Entry
- Bithionol
Bithionol, formerly marketed as an active ingredient in various topical drug products, was shown to be a potent photosensitizer with the potential to cause serious skin disorders. Approvals of the NDA's for bithionol drug products were withdrawn on October 24, 1967 (see the Federal Register of October 31, 1967 (32 FR 15046)).
- Accession Number
- DBSALT002855
- Structure
Structure for Bithionolate sodium (DBSALT002855)
- Synonyms
- 2,2'-Thiobis(4,6-dichlorophenol) disodium salt / Bithionolate sodium / Bitionolate de sodium / Bitionolato sodico / Natrii bitionolas / Sodium bitionolate
- UNII
- 66V0139H9A
- CAS Number
- 6385-58-6
- Weight
- Average: 400.0
Monoisotopic: 397.8481499 - Chemical Formula
- C12H4Cl4Na2O2S
- InChI Key
- FNYZFZRGBBCWBI-UHFFFAOYSA-L
- InChI
- InChI=1S/C12H6Cl4O2S.2Na/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18;;/h1-4,17-18H;;/q;2*+1/p-2
- IUPAC Name
- disodium 2,4-dichloro-6-[(3,5-dichloro-2-oxidophenyl)sulfanyl]benzen-1-olate
- SMILES
- [Na+].[Na+].[O-]C1=C(SC2=C([O-])C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl
- External Links
- ChemSpider
- 21438
- ChEMBL
- CHEMBL1447476
- Predicted Properties
Property Value Source Water Solubility 0.000228 mg/mL ALOGPS logP 6.53 ALOGPS logP 5.97 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 4.89 Chemaxon pKa (Strongest Basic) -7.2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 46.12 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 103.02 m3·mol-1 Chemaxon Polarizability 30.65 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon