This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Pyritinol is a vitamin B6 analog indicated as an adjunct therapy in the treatment of a wide variety of disorders of the brain.
- Generic Name
- Pyritinol
- DrugBank Accession Number
- DB13084
- Background
Pyritinol has been used in trials studying the treatment of Dementia, Depression, Schizophrenia, Anxiety Disorders, and Psychosomatic Disorders.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Pyritinol (DB13084)
- Weight
- Average: 368.47
Monoisotopic: 368.08644948 - Chemical Formula
- C16H20N2O4S2
- Synonyms
- Pyritinol
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Symptomatic treatment of Cognitive dysfunctions •••••••••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Pyritinol hydrochloride 0OE436N2Y2 60479-98-3 VFEKMAOUJHONFD-UHFFFAOYSA-N
Categories
- ATC Codes
- N06BX02 — Pyritinol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Methylpyridines
- Direct Parent
- Methylpyridines
- Alternative Parents
- Hydroxypyridines / Heteroaromatic compounds / Dialkyldisulfides / Sulfenyl compounds / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives / Aromatic alcohols
- Substituents
- Alcohol / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Dialkyldisulfide / Heteroaromatic compound / Hydrocarbon derivative / Hydroxypyridine / Methylpyridine / Organic disulfide
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- AK5Q5FZH2R
- CAS number
- 1098-97-1
- InChI Key
- SIXLXDIJGIWWFU-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H20N2O4S2/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
- IUPAC Name
- 5-[({[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl}disulfanyl)methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
- SMILES
- CC1=C(O)C(CO)=C(CSSCC2=C(CO)C(O)=C(C)N=C2)C=N1
References
- General References
- FDA Thailand Product Information: Encephabol (pyritinol dihydrochloride) oral tablets [Link]
- External Links
- PubChem Compound
- 14190
- PubChem Substance
- 347829209
- ChemSpider
- 13561
- 9020
- ChEBI
- 135554
- ChEMBL
- CHEMBL488093
- ZINC
- ZINC000037866091
- Wikipedia
- Pyritinol
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 3 Terminated Treatment Anxiety Disorders / Dementia / Depression / Psychosomatic Disorders / Schizophrenia 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet Oral 200 mg Tablet, coated Oral 600 mg Suspension Oral 3.22 g Suspension Oral 1.61 g Suspension Oral 161000 g Suspension Oral 3.222 g Tablet, sugar coated Oral 100 MG Tablet, sugar coated Oral 200 MG Suspension Oral Tablet, sugar coated Oral Tablet, coated Oral 100 mg Tablet Oral 100 mg Tablet, coated Oral 200 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- 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 38.6 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 - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0uk9-0901000000-724a36d72aa73510e901 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0109000000-9918a07e7c78a0762c18 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0gb9-0933000000-076264943a8d71c8d0f7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fk9-0309000000-e395e0f4d03226d2984b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-1900000000-2b1536e69760260d4a54 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0901000000-c758bb5ae8673e1f8af4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0uxr-2901000000-743c08b808fe5b4776b0 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 182.72572 predictedDeepCCS 1.0 (2019) [M+H]+ 185.27603 predictedDeepCCS 1.0 (2019) [M+Na]+ 193.08627 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:49 / Updated at June 12, 2021 10:55