Talsupram

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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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
Thumb
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

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
PubChem Compound
33014
PubChem Substance
310265099
ChemSpider
30557
BindingDB
50021217
ChEMBL
CHEMBL52247
Wikipedia
Talsupram

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility0.000338 mg/mLALOGPS
logP5.53ALOGPS
logP4.56ChemAxon
logS-6ALOGPS
pKa (Strongest Basic)10.54ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity98.02 m3·mol-1ChemAxon
Polarizability37.03 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot 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