Oxitropium

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

Identification

Generic Name
Oxitropium
DrugBank Accession Number
DB12086
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 332.419
Monoisotopic: 332.185634741
Chemical Formula
C19H26NO4
Synonyms
Not Available

Pharmacology

Indication

Not Available

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Oxitropium bromideSF4NW7NH7C30286-75-0LCELQERNWLBPSY-KHSTUMNDSA-M

Categories

ATC Codes
R03BB02 — Oxitropium bromide
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Amine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Beta-hydroxy acid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Dialkyl ether
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8G15T83E6I
CAS number
99571-64-9
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

References

General References
Not Available
PubChem Compound
6917866
PubChem Substance
347828392
ChemSpider
32698552
RxNav
32649
ChEBI
135418
ZINC
ZINC000100660065

Clinical Trials

Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
3CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)2somestatusstop reasonjust information to hide

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Aerosol, meteredRespiratory (inhalation)
SolutionRespiratory (inhalation)
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-MSsplash10-00y0-2910000000-e96bd2ef0eea5d049a41
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]-169.86021
predicted
DeepCCS 1.0 (2019)
[M+H]+172.25578
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.16829
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:19 / Updated at June 12, 2020 16:53