NAV

Talsupram

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

Identification

Generic Name
Talsupram
DrugBank Accession Number
DB09191
Background

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.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 311.49
Monoisotopic: 311.170770983
Chemical Formula
C20H25NS
Synonyms
  • Talsupram
External IDs
  • Lu 5-003
  • Lu 5-005
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Chemical TaxonomyProvided by Classyfire
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
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Dialkylthioether / Hydrocarbon derivative / Organic nitrogen compound / Organoheterocyclic compound / Organonitrogen compound / Organopnictogen compound / Phenylbutylamine
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C6Z73MW6CR
CAS number
21489-20-3
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

References

General References
Not Available
PubChem Compound
33014
PubChem Substance
310265099
ChemSpider
30557
BindingDB
50021217
ChEMBL
CHEMBL52247
Wikipedia
Talsupram

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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-MSsplash10-000i-2090000000-bc2a6f1b94667caced9e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03e9-0096000000-709ad51d8e328b233f8d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0019000000-c8020a56cafec946611a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ec-1962000000-3c6e8736e9409151560c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0119000000-f2d1a1805cb4aff16bad
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0900000000-62efb93de08b6cbe6537
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02tl-1961000000-1ccb68f683bbf43f7a59
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-176.03508
predicted
DeepCCS 1.0 (2019)
[M+H]+178.5854
predicted
DeepCCS 1.0 (2019)
[M+Na]+185.38893
predicted
DeepCCS 1.0 (2019)

Drug created at October 16, 2015 19:52 / Updated at February 21, 2021 18:52