Oxitropium

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

Identification

Name
Oxitropium
Accession Number
DB12086
Type
Small Molecule
Groups
Investigational
Description

Oxitropium has been investigated for the treatment of Pulmonary Disease, Chronic Obstructive.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Oxitropium bromideSF4NW7NH7C30286-75-0LCELQERNWLBPSY-KHSTUMNDSA-M
Categories
UNII
8G15T83E6I
CAS number
99571-64-9
Weight
Average: 332.419
Monoisotopic: 332.185634741
Chemical Formula
C19H26NO4
InChI Key
NVOYVOBDTVTBDX-PMEUIYRNSA-N
InChI
InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13-,14-,15-,16+,17-,18+,20?/m1/s1
IUPAC Name
(1R,2R,4S,5S,7S)-9-ethyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium
SMILES
CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
1,10-PhenanthrolineThe therapeutic efficacy of Oxitropium can be decreased when used in combination with 1,10-Phenanthroline.
AclidiniumThe risk or severity of adverse effects can be increased when Oxitropium is combined with Aclidinium.
AgmatineAgmatine may increase the anticholinergic activities of Oxitropium.
Ajulemic acidThe risk or severity of Tachycardia and drowsiness can be increased when Oxitropium is combined with Ajulemic acid.
AlcuroniumOxitropium may increase the anticholinergic activities of Alcuronium.
AlfentanilThe risk or severity of adverse effects can be increased when Oxitropium is combined with Alfentanil.
AlphacetylmethadolThe risk or severity of adverse effects can be increased when Oxitropium is combined with Alphacetylmethadol.
AlphaprodineThe risk or severity of adverse effects can be increased when Oxitropium is combined with Alphaprodine.
Aluminum sulfateThe therapeutic efficacy of Aluminum sulfate can be decreased when used in combination with Oxitropium.
AmbenoniumThe therapeutic efficacy of Oxitropium can be decreased when used in combination with Ambenonium.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
6917866
PubChem Substance
347828392
ChemSpider
32698552
ChEBI
135418
ATC Codes
R03BB02 — Oxitropium bromide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentPulmonary Disease, Chronic Obstructive2

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 Solubility0.00635 mg/mLALOGPS
logP0.13ALOGPS
logP-2.9ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)15.15ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area59.06 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity100.38 m3·mol-1ChemAxon
Polarizability35.3 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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-MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Sub Class
Beta hydroxy acids and derivatives
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Benzene and substituted derivatives / Piperidines / Morpholines / N-alkylpyrrolidines / Tetraalkylammonium salts / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Epoxides / Dialkyl ethers
show 9 more
Substituents
Beta-hydroxy acid / Monocyclic benzene moiety / Morpholine / Oxazinane / Piperidine / N-alkylpyrrolidine / Benzenoid / Tetraalkylammonium salt / Pyrrolidine / Quaternary ammonium salt
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:19 / Updated on November 02, 2018 09:12