NAV

Tiemonium iodide

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

Identification

Generic Name
Tiemonium iodide
DrugBank Accession Number
DB13666
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 445.36
Monoisotopic: 445.05725
Chemical Formula
C18H24INO2S
Synonyms
  • Tiemonium iodide
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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.
DrugInteraction
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interactions in your software
AclidiniumThe risk or severity of adverse effects can be increased when Tiemonium iodide is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Tiemonium iodide.
AlbuterolThe risk or severity of Tachycardia can be increased when Salbutamol is combined with Tiemonium iodide.
AlfentanilThe risk or severity of adverse effects can be increased when Tiemonium iodide is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Tiemonium iodide.
Food Interactions
Not Available

Products

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Categories

ATC Codes
A03AB17 — Tiemonium iodideA03DA07 — Tiemonium iodide and analgesics
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Aralkylamines
Alternative Parents
Morpholines / Benzene and substituted derivatives / Thiophenes / Tetraalkylammonium salts / Tertiary alcohols / Heteroaromatic compounds / 1,3-aminoalcohols / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds
show 5 more
Substituents
1,3-aminoalcohol / Alcohol / Aralkylamine / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Dialkyl ether / Ether / Heteroaromatic compound
show 16 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
FZ2LZ7U304
CAS number
144-12-7
InChI Key
IOFXEUZPIIUQAG-UHFFFAOYSA-M
InChI
InChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1
IUPAC Name
4-[3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl]-4-methylmorpholin-4-ium iodide
SMILES
[I-].C[N+]1(CCC(O)(C2=CC=CS2)C2=CC=CC=C2)CCOCC1

References

General References
Not Available
ChemSpider
65116
ChEBI
32224
ChEMBL
CHEMBL2104797
Wikipedia
Tiemonium_iodide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Pill
Suppository
Tablet0.500 G
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00124 mg/mLALOGPS
logP-1.2ALOGPS
logP-1.6Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)12.82Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.46 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity102.01 m3·mol-1Chemaxon
Polarizability35.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-08gl-2973100000-370b81f1eac3b6eafa76
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-172.54756
predicted
DeepCCS 1.0 (2019)
[M+H]+175.14671
predicted
DeepCCS 1.0 (2019)
[M+Na]+182.30789
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54