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

Identification

Name
Otilonium
Accession Number
DB13500
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Otilonium bromide21HN3N72PVNot AvailableNot applicable
Categories
UNII
6330179ARU
CAS number
105360-89-2
Weight
Average: 483.672
Monoisotopic: 483.321734293
Chemical Formula
C29H43N2O4
InChI Key
NQHNLNLJPDMBFN-UHFFFAOYSA-O
InChI
InChI=1S/C29H42N2O4/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3/h12-13,15-20H,5-11,14,21-23H2,1-4H3/p+1
IUPAC Name
diethyl(methyl)(2-{4-[2-(octyloxy)benzamido]benzoyloxy}ethyl)azanium
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C(=O)OCC[N+](C)(CC)CC

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
(2-benzhydryloxyethyl)diethyl-methylammonium iodideThe risk or severity of adverse effects can be increased when Otilonium is combined with (2-benzhydryloxyethyl)diethyl-methylammonium iodide.
1,10-PhenanthrolineThe therapeutic efficacy of Otilonium can be decreased when used in combination with 1,10-Phenanthroline.
AbafunginThe therapeutic efficacy of Abafungin can be increased when used in combination with Otilonium.
AcepromazineThe risk or severity of hypotension can be increased when Acepromazine is combined with Otilonium.
AclidiniumThe risk or severity of adverse effects can be increased when Otilonium is combined with Aclidinium.
AgmatineThe risk or severity of adverse effects can be increased when Otilonium is combined with Agmatine.
Ajulemic acidThe risk or severity of Tachycardia and drowsiness can be increased when Otilonium is combined with Ajulemic acid.
AlbaconazoleThe therapeutic efficacy of Albaconazole can be increased when used in combination with Otilonium.
AlclometasoneThe metabolism of Otilonium can be decreased when combined with Alclometasone.
AlcuroniumOtilonium may increase the neuromuscular blocking activities of Alcuronium.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
65078
ChEBI
135780
ChEMBL
CHEMBL1433361
Wikipedia
Otilonium
ATC Codes
A03AB06 — Otilonium bromideA03CA04 — Otilonium bromide and psycholeptics

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedDiagnosticGastroscopy1

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 Solubility2.42e-05 mg/mLALOGPS
logP2.92ALOGPS
logP2.58ChemAxon
logS-7.3ALOGPS
pKa (Strongest Acidic)12.75ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area64.63 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity155.79 m3·mol-1ChemAxon
Polarizability58.63 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Anilides
Direct Parent
Benzanilides
Alternative Parents
Benzoic acid esters / Benzamides / Benzoyl derivatives / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Tetraalkylammonium salts / Carboxylic acid esters / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives
show 6 more
Substituents
Benzanilide / Benzoate ester / Benzamide / Benzoic acid or derivatives / Phenoxy compound / Benzoyl / Phenol ether / Alkyl aryl ether / Tetraalkylammonium salt / Quaternary ammonium salt
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Enzymes

Kind
Protein
Organism
Human
Pharmacological action
No
Actions
Substrate
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Uesawa Y, Takeuchi T, Mohri K: Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17. [PubMed:22039822]

Drug created on June 23, 2017 14:43 / Updated on August 26, 2018 02:06