Butalamine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Butalamine
- DrugBank Accession Number
- DB13681
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 316.449
Monoisotopic: 316.226311538 - Chemical Formula
- C18H28N4O
- Synonyms
- Butalamina
- Butalamine
- Butalaminum
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.
Drug Interaction Integrate drug-drug
interactions in your softwareIloprost Iloprost may increase the hypotensive activities of Butalamine. Isosorbide mononitrate Butalamine may increase the vasodilatory activities of Isosorbide mononitrate. Patent Blue The therapeutic efficacy of Butalamine can be decreased when used in combination with Patent Blue. - 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 Butalamine hydrochloride Q7URG335CL 56974-46-0 ZCEDBAQIHPGWNW-UHFFFAOYSA-N - International/Other Brands
- Adrevil / Surem / Surheme
Categories
- ATC Codes
- C04AX23 — Butalamine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Oxadiazoles
- Direct Parent
- Phenyloxadiazoles
- Alternative Parents
- Secondary alkylarylamines / Benzene and substituted derivatives / Heteroaromatic compounds / Trialkylamines / Oxacyclic compounds / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Hydrocarbon derivatives
- Substituents
- Amine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 140T9JTG43
- CAS number
- 22131-35-7
- InChI Key
- VYWQZAARVNRSTR-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)
- IUPAC Name
- N-[2-(dibutylamino)ethyl]-3-phenyl-1,2,4-oxadiazol-5-amine
- SMILES
- CCCCN(CCCC)CCNC1=NC(=NO1)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 28712
- 180806
- ChEBI
- 135354
- ChEMBL
- CHEMBL1697825
- ZINC
- ZINC000002002230
- Wikipedia
- Butalamine
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 0.0705 mg/mL ALOGPS logP 4.75 ALOGPS logP 4.92 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 11.54 Chemaxon pKa (Strongest Basic) 8.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.19 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 107.52 m3·mol-1 Chemaxon Polarizability 38.73 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 splash10-00di-3920000000-9c665dd66cf50c6a12cb Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0209000000-46404c631870bff3ae6d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0519000000-292eb421ff79f63e4a8e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0926000000-afc8c8c432140e84e66c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00kb-1953000000-31344128fe4d52c40535 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-02ds-3920000000-71269f5c65b200db3f67 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-4930000000-0710772fd37c1cdfde16 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]- 191.1809795 predictedDarkChem Lite v0.1.0 [M-H]- 176.41829 predictedDeepCCS 1.0 (2019) [M+H]+ 190.7778795 predictedDarkChem Lite v0.1.0 [M+H]+ 178.7763 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.9253795 predictedDarkChem Lite v0.1.0 [M+Na]+ 184.86945 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54