NAV

Tromantadine

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

Identification

Generic Name
Tromantadine
DrugBank Accession Number
DB13288
Background

Tromantadine is marketed as Viru-Merz in the Czech Republic 1. It is an antiviral used in the treatment of herpes zoster and simplex.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 280.412
Monoisotopic: 280.21507815
Chemical Formula
C16H28N2O2
Synonyms
  • Tromantadina
  • Tromantadine
  • Tromantadinum
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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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Categories

ATC Codes
J05AC03 — TromantadineD06BB02 — Tromantadine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Secondary carboxylic acid amides
Alternative Parents
Trialkylamines / Amino acids and derivatives / Dialkyl ethers / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic homopolycyclic compound / Amine / Amino acid or derivatives / Carbonyl group / Dialkyl ether / Ether / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
H191JFG8WA
CAS number
53783-83-8
InChI Key
UXQDWARBDDDTKG-UHFFFAOYSA-N
InChI
InChI=1S/C16H28N2O2/c1-18(2)3-4-20-11-15(19)17-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,3-11H2,1-2H3,(H,17,19)
IUPAC Name
N-(adamantan-1-yl)-2-[2-(dimethylamino)ethoxy]acetamide
SMILES
CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2

References

General References
  1. Viru-Merz Information [Link]
ChemSpider
57947
RxNav
38868
ChEBI
135163
ChEMBL
CHEMBL3989506
ZINC
ZINC000004214578
Wikipedia
Tromantadine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.209 mg/mLALOGPS
logP2.43ALOGPS
logP1.13Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)15.41Chemaxon
pKa (Strongest Basic)8.57Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area41.57 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity79.45 m3·mol-1Chemaxon
Polarizability33.1 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4i-9200000000-86eb0e25a5cc78059d7e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0090000000-8e4815367a868dc039f4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0190000000-6c322cbc6c013b195336
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1920000000-562f3834dcafcc582b65
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a7i-7490000000-a58ea561f709075f89db
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1900000000-476fdffdbe276afd85a0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-9610000000-78f529c182a22effb8d5
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]-172.1062678
predicted
DarkChem Lite v0.1.0
[M-H]-166.10902
predicted
DeepCCS 1.0 (2019)
[M+H]+172.2784678
predicted
DarkChem Lite v0.1.0
[M+H]+168.46703
predicted
DeepCCS 1.0 (2019)
[M+Na]+172.4216678
predicted
DarkChem Lite v0.1.0
[M+Na]+175.51564
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:39 / Updated at February 21, 2021 18:54