Talopram

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

Identification

Generic Name
Talopram
DrugBank Accession Number
DB09190
Background

Talopram is a selective norepinephrine reuptake inhibitor (SNRI) that is structurally similar to citalopram and melitracen. It was researched in the 1960s and 1970s but never marketed.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 295.426
Monoisotopic: 295.193614429
Chemical Formula
C20H25NO
Synonyms
  • Phthalapromine
  • Talopram
External IDs
  • Lu 3-010

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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Talopram is combined with 1,2-Benzodiazepine.
AcenocoumarolThe risk or severity of adverse effects can be increased when Talopram is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Talopram.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Talopram.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Talopram.
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
Isocoumarans / Aralkylamines / Oxacyclic compounds / Dialkylamines / Dialkyl ethers / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Dialkyl ether / Ether / Hydrocarbon derivative / Isocoumaran / Organic nitrogen compound / Organic oxygen compound / Organoheterocyclic compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5PY881HC79
CAS number
7182-51-6
InChI Key
LJBBMCNHIUJBDU-UHFFFAOYSA-N
InChI
InChI=1S/C20H25NO/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-benzofuran-1-yl)propyl](methyl)amine
SMILES
[H]N(C)CCCC1(OC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
23573
PubChem Substance
310265098
ChemSpider
22042
BindingDB
50021246
ChEMBL
CHEMBL299233
Wikipedia
Talopram

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 Solubility0.000693 mg/mLALOGPS
logP4.67ALOGPS
logP4.08Chemaxon
logS-5.6ALOGPS
pKa (Strongest Basic)10.54Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area21.26 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity91.84 m3·mol-1Chemaxon
Polarizability34.98 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-MSsplash10-00di-1190000000-1117374410f749ad5bb6
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-78ea53e304ac2763a2fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-1911a9ad675ec1985ca7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0390000000-c63fcf19bc1640a11172
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-005j-1390000000-ae9e8db9637c30898585
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-3890000000-3632ee60eaaa0a1cea28
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gc0-0910000000-3f07e2fde6a9539bb837
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]-172.21495
predicted
DeepCCS 1.0 (2019)
[M+H]+174.60849
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.05515
predicted
DeepCCS 1.0 (2019)

Drug created at October 16, 2015 19:50 / Updated at February 21, 2021 18:52