BN-82451
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- BN-82451
- DrugBank Accession Number
- DB16950
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 318.48
Monoisotopic: 318.176584639 - Chemical Formula
- C18H26N2OS
- Synonyms
- 4-(2-(aminomethyl)-1,3-thiazol-4-yl)-2,6-di(tert-butyl)phenol
- Phenol, 4-(2-(aminomethyl)-4-thiazolyl)-2,6-bis(1,1-dimethylethyl)-
- External IDs
- BN-82451
Pharmacology
- Indication
Not Available
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- 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
- Not Available
Interactions
- Drug Interactions
- 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 BN-82451 hydrochloride 210NPF5E6J 918656-59-4 Not applicable
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 531B661QBY
- CAS number
- 335242-75-6
- InChI Key
- HAQOEWGSBVQDHB-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H26N2OS/c1-17(2,3)12-7-11(14-10-22-15(9-19)20-14)8-13(16(12)21)18(4,5)6/h7-8,10,21H,9,19H2,1-6H3
- IUPAC Name
- 4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol
- SMILES
- CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C1=CSC(CN)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8080744
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00354 mg/mL ALOGPS logP 4.72 ALOGPS logP 4.65 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 10.73 Chemaxon pKa (Strongest Basic) 7.72 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 59.14 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 93.14 m3·mol-1 Chemaxon Polarizability 37.41 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 14, 2022 19:08 / Updated at December 13, 2022 10:46