Timepidium

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

Identification

Generic Name
Timepidium
DrugBank Accession Number
DB13850
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 320.49
Monoisotopic: 320.113733101
Chemical Formula
C17H22NOS2
Synonyms
  • 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-piperidinium
  • Timepidium cation
  • Timepidium ion

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
AclidiniumThe risk or severity of adverse effects can be increased when Timepidium is combined with Aclidinium.
AdenosineThe risk or severity of Tachycardia can be increased when Adenosine is combined with Timepidium.
AlbuterolThe risk or severity of Tachycardia can be increased when Salbutamol is combined with Timepidium.
AlfentanilThe risk or severity of adverse effects can be increased when Timepidium is combined with Alfentanil.
AlloinThe therapeutic efficacy of Alloin can be decreased when used in combination with Timepidium.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Timepidium bromide8R9E4766V435035-05-3QTSXMEPZSHLZFF-UHFFFAOYSA-M

Categories

ATC Codes
A03AB19 — Timepidium bromide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Piperidines
Sub Class
Not Available
Direct Parent
Piperidines
Alternative Parents
Thiophenes / Tetraalkylammonium salts / Heteroaromatic compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Amines / Organic cations
Substituents
Amine / Aromatic heteromonocyclic compound / Azacycle / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Organic cation / Organic nitrogen compound / Organic oxygen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C1WS2XH3K4
CAS number
97094-64-9
InChI Key
PDYOTUCJOLELJU-UHFFFAOYSA-N
InChI
InChI=1S/C17H22NOS2/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16/h4-9,14H,10-12H2,1-3H3/q+1
IUPAC Name
3-[bis(thiophen-2-yl)methylidene]-5-methoxy-1,1-dimethylpiperidin-1-ium
SMILES
COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1

References

General References
Not Available
ChemSpider
5277
ChEMBL
CHEMBL1865135
Wikipedia
Timepidium

Clinical Trials

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Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00842 mg/mLALOGPS
logP0.2ALOGPS
logP-0.6Chemaxon
logS-4.6ALOGPS
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area9.23 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity111.43 m3·mol-1Chemaxon
Polarizability35.5 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-MSsplash10-08fr-5691000000-cb230bd02aed8b6876aa
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]-169.66972
predicted
DeepCCS 1.0 (2019)
[M+H]+172.02773
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.58354
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at June 12, 2020 16:53