Pyritinol hydrochlorideProduct ingredient for Pyritinol
- Name
- Pyritinol hydrochloride
- Drug Entry
- Pyritinol
Pyritinol has been used in trials studying the treatment of Dementia, Depression, Schizophrenia, Anxiety Disorders, and Psychosomatic Disorders.
- Accession Number
- DBSALT003013
- Structure
Structure for Pyritinol hydrochloride (DBSALT003013)
- Synonyms
- Pyrithioxin hydrochloride / Pyritinol dihydrochloride monohydrate / Pyritinol hydrochloride
- UNII
- 0OE436N2Y2
- CAS Number
- 60479-98-3
- Weight
- Average: 459.4
Monoisotopic: 458.0503696 - Chemical Formula
- C16H24Cl2N2O5S2
- InChI Key
- VFEKMAOUJHONFD-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H20N2O4S2.2ClH.H2O/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;;/h3-4,19-22H,5-8H2,1-2H3;2*1H;1H2
- IUPAC Name
- 5-[({[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl}disulfanyl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol hydrate dihydrochloride
- SMILES
- O.Cl.Cl.CC1=NC=C(CSSCC2=C(CO)C(O)=C(C)N=C2)C(CO)=C1O
- External Links
- ChemSpider
- 10128546
- Predicted Properties
Property Value Source Water Solubility 0.232 mg/mL ALOGPS logP 1.57 ALOGPS logP 0.43 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 9.14 Chemaxon pKa (Strongest Basic) 6.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 106.7 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 98.78 m3·mol-1 Chemaxon Polarizability 38.61 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