NAV

Talastine

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

Identification

Generic Name
Talastine
DrugBank Accession Number
DB13349
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 307.397
Monoisotopic: 307.168462308
Chemical Formula
C19H21N3O
Synonyms
  • Talastine
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
Toxicity

Not Available

Pathways
PathwayCategory
Talastine H1-Antihistamine ActionDrug action
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
Integrate drug-drug
interactions in your software
DroxidopaThe therapeutic efficacy of Droxidopa can be increased when used in combination with Talastine.
EphedrineThe therapeutic efficacy of Ephedrine can be increased when used in combination with Talastine.
EpinephrineThe therapeutic efficacy of Epinephrine can be increased when used in combination with Talastine.
LevonordefrinThe therapeutic efficacy of Levonordefrin can be increased when used in combination with Talastine.
NorepinephrineThe therapeutic efficacy of Norepinephrine can be increased when used in combination with Talastine.
Food Interactions
Not Available

Categories

ATC Codes
R06AB07 — Talastine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Phthalazinones
Alternative Parents
Pyridazinones / Benzene and substituted derivatives / Heteroaromatic compounds / Trialkylamines / Lactams / Azacyclic compounds / Organopnictogen compounds / Organooxygen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Lactam / Monocyclic benzene moiety / Organic nitrogen compound / Organic oxide
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
49AB2PA48B
CAS number
16188-61-7
InChI Key
LCAAMXMULMCKLJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N3O/c1-21(2)12-13-22-19(23)17-11-7-6-10-16(17)18(20-22)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
IUPAC Name
4-benzyl-2-[2-(dimethylamino)ethyl]-1,2-dihydrophthalazin-1-one
SMILES
CN(C)CCN1N=C(CC2=CC=CC=C2)C2=CC=CC=C2C1=O

References

General References
Not Available
Human Metabolome Database
HMDB0240220
ChemSpider
59065
ChEBI
135308
ChEMBL
CHEMBL1742439
ZINC
ZINC000000002122
Wikipedia
Talastine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0692 mg/mLALOGPS
logP2.25ALOGPS
logP2.91Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)8.05Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area35.91 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity93.63 m3·mol-1Chemaxon
Polarizability34.34 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 MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-b4cc90c1447eb5b70079
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-e9b061d473b281ba2dcd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0290000000-52b9b1d4d32692bcfd6b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-8098000000-84d8ae023802af92f2d0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0abi-0970000000-c00832ee60f779f6b52e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-8591000000-a143a2800056e72ccc3e
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]-188.2843667
predicted
DarkChem Lite v0.1.0
[M-H]-186.6000667
predicted
DarkChem Lite v0.1.0
[M-H]-168.66566
predicted
DeepCCS 1.0 (2019)
[M+H]+189.2961667
predicted
DarkChem Lite v0.1.0
[M+H]+187.0261667
predicted
DarkChem Lite v0.1.0
[M+H]+171.02365
predicted
DeepCCS 1.0 (2019)
[M+Na]+187.7469667
predicted
DarkChem Lite v0.1.0
[M+Na]+186.8514667
predicted
DarkChem Lite v0.1.0
[M+Na]+177.1168
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54