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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyTalsupram
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Talsupram
- Accession Number
- DB09191
- Type
- Small Molecule
- Groups
- Experimental
- Description
Talsupram is a selective norepinephrine reuptake inhibitor (NRI). It was under research for the treatment of depression in 1960 and 1970 but it was never marketed. Talsupram presents a similar structure to citalopram.
- Structure
Structure for Talsupram (DB09191)
- Synonyms
- Not Available
- External IDs
- Lu 5-003 / Lu 5-005
- Categories
- UNII
- C6Z73MW6CR
- CAS number
- 21489-20-3
- Weight
- Average: 311.49
Monoisotopic: 311.170770983 - Chemical Formula
- C20H25NS
- InChI Key
- FKHYYOUFMJBLAF-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
- IUPAC Name
- [3-(3,3-dimethyl-1-phenyl-1,3-dihydro-2-benzothiophen-1-yl)propyl](methyl)amine
- SMILES
- [H]N(C)CCCC1(SC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1
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Pharmacology
- Indication
- Not Available
- 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
- Toxicity
- Not Available
- Affected organisms
- 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
References
- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000338 mg/mL ALOGPS logP 5.53 ALOGPS logP 4.56 ChemAxon logS -6 ALOGPS pKa (Strongest Basic) 10.54 ChemAxon Physiological Charge 1 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 12.03 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 98.02 m3·mol-1 ChemAxon Polarizability 37.03 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylbutylamines
- Direct Parent
- Phenylbutylamines
- Alternative Parents
- Aralkylamines / Organoheterocyclic compounds / Dialkylthioethers / Dialkylamines / Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Phenylbutylamine / Aralkylamine / Organoheterocyclic compound / Dialkylthioether / Thioether / Secondary amine / Secondary aliphatic amine / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Drug created on October 16, 2015 13:52 / Updated on December 02, 2019 08:39