This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- N-T-Butylhydroxylamine
- DrugBank Accession Number
- DB16957
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for N-T-Butylhydroxylamine (DB16957)
- Weight
- Average: 89.138
Monoisotopic: 89.084063978 - Chemical Formula
- C4H11NO
- Synonyms
- 2-hydroxylamino-2-methylpropane
- N-hydroxy-2-methyl-2-propanamine
- N-hydroxy-tert-butylamine
- N-tert-Butylhydroxylamine
- External IDs
- NSC-150349
- NSC-239719
Pharmacology
- Indication
Not Available
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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
- 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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BQ5JE2DA91
- CAS number
- 16649-50-6
- InChI Key
- XWESXZZECGOXDQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
- IUPAC Name
- N-tert-butylhydroxylamine
- SMILES
- CC(C)(C)NO
References
- General References
- Not Available
- External Links
- ChemSpider
- 89031
- ChEMBL
- CHEMBL555486
- ZINC
- ZINC000001754610
- PDBe Ligand
- XQZ
- PDB Entries
- 8fdn
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 390.0 mg/mL ALOGPS logP 0.38 ALOGPS logP 0.54 Chemaxon logS 0.64 ALOGPS pKa (Strongest Acidic) 15.32 Chemaxon pKa (Strongest Basic) 5.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 35.98 m3·mol-1 Chemaxon Polarizability 10.29 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes 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 22:08 / Updated at December 01, 2022 11:33