NAV

Thenyldiamine

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

Identification

Summary

Thenyldiamine is an ingredient in products indicated to treat rhinitis caused by the common cold.

Generic Name
Thenyldiamine
DrugBank Accession Number
DB16022
Background

Not Available

Type
Small Molecule
Groups
Approved, Experimental
Structure
3D
Similar Structures
Weight
Average: 261.39
Monoisotopic: 261.129968798
Chemical Formula
C14H19N3S
Synonyms
  • Tenildiamina
  • Thenyldiamine
  • Thenyldiaminum
External IDs
  • 202-098-2
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Thenyldiamine hydrochloride7ZQC1892H9958-93-0OQWLDKFPOJCKBX-UHFFFAOYSA-N
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Neo Synephrine Nasal SprayThenyldiamine hydrochloride (.1 %) + Phenylephrine hydrochloride (.5 %)SprayNasalSterling Winthrop Inc.1992-12-311996-09-10Canada flag
Neo-synephrine Nasal SprayThenyldiamine hydrochloride (.1 %) + Phenylephrine hydrochloride (.5 %)SprayNasalBayer Inc Consumer Care1995-12-311997-08-01Canada flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
E4U52363JE
CAS number
91-79-2
InChI Key
RCGYDFVCAAKKNG-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
IUPAC Name
N-[2-(dimethylamino)ethyl]-N-[(thiophen-3-yl)methyl]pyridin-2-amine
SMILES
CN(C)CCN(CC1=CSC=C1)C1=CC=CC=N1

References

General References
  1. AIFA Product Information: NTR (benzalkonium, phenylephrine, and thenyldiamine) spray and solution [Link]
Human Metabolome Database
HMDB0240241
ChemSpider
6799
RxNav
38025
ChEMBL
CHEMBL2107485
ZINC
ZINC000000002149
Wikipedia
Thenyldiamine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution / dropsNasal
SprayNasal
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.382 mg/mLALOGPS
logP2.8ALOGPS
logP2.98Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)8.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area19.37 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity78.38 m3·mol-1Chemaxon
Polarizability29.64 Å3Chemaxon
Number of Rings2Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-7df9d67246178464702b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02tc-3590000000-530b7a690a7c4c30a726
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xr-8090000000-c2619a2898d40c654c04
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-3900000000-98b52e6a1441152560cd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-8920000000-742be5b8ab05de32efa0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-1910000000-382cce3a560486d8e47f
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]-165.6170794
predicted
DarkChem Lite v0.1.0
[M-H]-165.5093794
predicted
DarkChem Lite v0.1.0
[M-H]-149.2571
predicted
DeepCCS 1.0 (2019)
[M+H]+165.7610794
predicted
DarkChem Lite v0.1.0
[M+H]+168.1815794
predicted
DarkChem Lite v0.1.0
[M+H]+151.61511
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.3435794
predicted
DarkChem Lite v0.1.0
[M+Na]+166.0191794
predicted
DarkChem Lite v0.1.0
[M+Na]+158.49821
predicted
DeepCCS 1.0 (2019)

Drug created at December 14, 2020 14:13 / Updated at May 05, 2021 20:32