Diethylhomospermine
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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
- Diethylhomospermine
- DrugBank Accession Number
- DB13011
- Background
Diethylhomospermine has been used in trials studying the treatment of Diarrhea and HIV Infections.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 286.508
Monoisotopic: 286.30964724 - Chemical Formula
- C16H38N4
- Synonyms
- Not Available
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
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Amines
- Direct Parent
- Dialkylamines
- Alternative Parents
- Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organopnictogen compound / Secondary aliphatic amine
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8G6X94GNHO
- CAS number
- 119422-08-1
- InChI Key
- QXOCYGPVDXDFLC-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3
- IUPAC Name
- 3,8,13,18-tetraazaicosane
- SMILES
- CCNCCCCNCCCCNCCCCNCC
References
- General References
- Not Available
- External Links
- PubChem Compound
- 60702
- PubChem Substance
- 347829147
- ChemSpider
- 54707
- ChEMBL
- CHEMBL77101
- ZINC
- ZINC000005650422
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Diarrhea / Human Immunodeficiency Virus (HIV) Infections 1
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 0.0826 mg/mL ALOGPS logP 1.72 ALOGPS logP 1.16 Chemaxon logS -3.5 ALOGPS pKa (Strongest Basic) 11.29 Chemaxon Physiological Charge 4 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 48.12 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 90.89 m3·mol-1 Chemaxon Polarizability 38.96 Å3 Chemaxon Number of Rings 0 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 splash10-056r-7930000000-04cda35ee2a237f10225 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-56a1987d022cde639c1e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-ae5dae35e458009ea321 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000l-0290000000-ec82754fbaac141d8a14 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0090000000-a9b5bc58053a1eaf8958 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0abc-9300000000-ecec271d96a9cb5da03d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-4790000000-33289f5d429fbac81b64 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]- 203.9429382 predictedDarkChem Lite v0.1.0 [M-H]- 164.31831 predictedDeepCCS 1.0 (2019) [M+H]+ 204.7413382 predictedDarkChem Lite v0.1.0 [M+H]+ 167.28767 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.3191382 predictedDarkChem Lite v0.1.0 [M+Na]+ 176.23888 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:03 / Updated at June 12, 2020 16:53