Talopram
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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
- 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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- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of CNS depression can be increased when Talopram is combined with 1,2-Benzodiazepine. Acenocoumarol The risk or severity of adverse effects can be increased when Talopram is combined with Acenocoumarol. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Talopram. Acetophenazine The risk or severity of CNS depression can be increased when Acetophenazine is combined with Talopram. Agomelatine The 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
- 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 0.000693 mg/mL ALOGPS logP 4.67 ALOGPS logP 4.08 Chemaxon logS -5.6 ALOGPS pKa (Strongest Basic) 10.54 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 21.26 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 91.84 m3·mol-1 Chemaxon Polarizability 34.98 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 splash10-00di-1190000000-1117374410f749ad5bb6 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0090000000-78ea53e304ac2763a2fa Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-1911a9ad675ec1985ca7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0390000000-c63fcf19bc1640a11172 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-005j-1390000000-ae9e8db9637c30898585 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-3890000000-3632ee60eaaa0a1cea28 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gc0-0910000000-3f07e2fde6a9539bb837 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]- 172.21495 predictedDeepCCS 1.0 (2019) [M+H]+ 174.60849 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.05515 predictedDeepCCS 1.0 (2019)
Drug created at October 16, 2015 19:50 / Updated at February 21, 2021 18:52