This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Otilonium is a spasmolytic medication used to treat irritable bowel syndrome (IBS).
- Generic Name
- Otilonium
- DrugBank Accession Number
- DB13500
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Otilonium (DB13500)
- Weight
- Average: 483.672
Monoisotopic: 483.321734293 - Chemical Formula
- C29H43N2O4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination for symptomatic treatment of Gastrointestinal pain Combination Product in combination with: Simethicone (DB09512) •••••••••••• •••••• Used in combination for symptomatic treatment of Gastrointestinal pain Combination Product in combination with: Simethicone (DB09512) •••••••••••• •••••• Used in combination for symptomatic treatment of Pain Combination Product in combination with: Simethicone (DB09512) •••••••••••• •••••• Used in combination for symptomatic treatment of Spasms Combination Product in combination with: Simethicone (DB09512) •••••••••••• •••••• Used in combination for symptomatic treatment of Spasms Combination Product in combination with: Simethicone (DB09512) •••••••••••• •••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbametapir The serum concentration of Otilonium can be increased when it is combined with Abametapir. Acarbose The risk or severity of hypoglycemia can be increased when Otilonium is combined with Acarbose. Acebutolol Acebutolol may increase the arrhythmogenic activities of Otilonium. Aceclofenac The risk or severity of hyperkalemia can be increased when Aceclofenac is combined with Otilonium. Acemetacin The risk or severity of hyperkalemia can be increased when Otilonium is combined with Acemetacin. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Otilonium bromide 21HN3N72PV 26095-59-0 VWZPIJGXYWHBOW-UHFFFAOYSA-N - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image DOLOSPAS 40 MG/80 MG FİLM KAPLI TABLET, 30 ADET Otilonium bromide (40 mg) + Simethicone (80 mg) Tablet TRIPHARMA İLAÇ SAN. VE TİC. A.Ş. 2016-11-03 Not applicable Turkey 
DOLOSPAS 40 MG/80 MG FİLM KAPLI TABLET, 90 ADET Otilonium bromide (40 mg) + Simethicone (80 mg) Tablet TRIPHARMA İLAÇ SAN. VE TİC. A.Ş. 2016-11-03 Not applicable Turkey PİNİX 40 MG/80 MG FİLM KAPLI TABLET, 30 TABLET Otilonium bromide (40 mg) + Simethicone (80 mg) Tablet, coated Oral SANTA FARMA İLAÇ SAN. A.Ş. 2019-01-11 Not applicable Turkey SIMFLAT 40MG/80 MG FİLM KAPLI TABLET, 30 ADET Otilonium bromide (40 mg) + Simethicone (80 mg) Tablet, film coated ABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş. 2014-02-19 Not applicable Turkey SIMFLAT 40MG/80 MG FİLM KAPLI TABLET, 90 ADET Otilonium bromide (40 mg) + Simethicone (80 mg) Tablet, film coated ABDİ İBRAHİM İLAÇ SAN. VE TİC. A.Ş. 2014-02-19 Not applicable Turkey
Categories
- ATC Codes
- A03CA04 — Otilonium bromide and psycholeptics
- A03CA — Synthetic anticholinergic agents in combination with psycholeptics
- A03C — ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
- A03 — DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- A — ALIMENTARY TRACT AND METABOLISM
- Drug Categories
- Agents causing hyperkalemia
- Agents producing tachycardia
- Alimentary Tract and Metabolism
- Amines
- Ammonium Compounds
- Antiarrhythmic agents
- Anticholinergic Agents
- Autonomic Agents
- Bradycardia-Causing Agents
- Calcium Channel Blockers
- Calcium-Regulating Hormones and Agents
- Cardiovascular Agents
- Cholinergic Agents
- Cytochrome P-450 CYP3A Substrates
- Cytochrome P-450 CYP3A4 Substrates
- Cytochrome P-450 Substrates
- Drugs for Functional Gastrointestinal Disorders
- Gastrointestinal Agents
- Membrane Transport Modulators
- Moderate Risk QTc-Prolonging Agents
- Muscarinic Antagonists
- Neurotransmitter Agents
- Nitrogen Compounds
- Onium Compounds
- Parasympatholytics
- Peripheral Nervous System Agents
- QTc Prolonging Agents
- Synthetic Anticholinergics, Quaternary Ammonium Compounds
- Vasodilating Agents
- Chemical TaxonomyProvided by Classyfire
- 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
- Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Benzamide / Benzanilide / Benzoate ester / Benzoic acid or derivatives / Benzoyl / Carboxamide group / Carboxylic acid derivative show 17 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6330179ARU
- CAS number
- 105360-89-2
- 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
References
- General References
- Evangelista S, Traini C, Vannucchi MG: Otilonium Bromide: A Drug with a Complex Mechanism of Action. Curr Pharm Des. 2018;24(16):1772-1779. doi: 10.2174/1381612824666180507122935. [Article]
- Evangelista S: Otilonium bromide: a selective spasmolytic for the gastrointestinal tract. J Int Med Res. 1999 Sep-Oct;27(5):207-22. doi: 10.1177/030006059902700501. [Article]
- TITCK Product Information: Motigen (otilonium bromide) film-coated tablets for oral use [Link]
- TITCK Product Information: Pinix (otilonium bromide/simethicone) film-coated tablets for oral use [Link]
- External Links
- ChemSpider
- 65078
- 32311
- ChEBI
- 135780
- ChEMBL
- CHEMBL1433361
- ZINC
- ZINC000008214636
- PDBe Ligand
- 7TB
- Wikipedia
- Otilonium_bromide
- PDB Entries
- 7wlk
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 4 Completed Diagnostic Gastroscopy 1 4 Completed Treatment Irritable Bowel Syndrome (IBS) 1 Not Available Completed Treatment Irritable Bowel Syndrome (IBS) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral Tablet, coated Oral 40 mg Tablet Tablet, film coated Oral 40 mg Tablet, film coated Oral 4000000 mg Tablet Oral 40.000 mg Tablet, film coated Oral Tablet, coated Oral 40 g Tablet Oral 40.00 mg Tablet, film coated Tablet Oral 40 mg Powder, for solution Suppository Tablet, coated Oral Tablet, coated Oral Powder Tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.42e-05 mg/mL ALOGPS logP 2.92 ALOGPS logP 2.58 Chemaxon logS -7.3 ALOGPS pKa (Strongest Acidic) 12.75 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.63 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 155.79 m3·mol-1 Chemaxon Polarizability 58.63 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 245.0123676 predictedDarkChem Lite v0.1.0 [M-H]- 226.99092 predictedDeepCCS 1.0 (2019) [M+H]+ 245.3246676 predictedDarkChem Lite v0.1.0 [M+H]+ 229.34895 predictedDeepCCS 1.0 (2019) [M+Na]+ 245.3181676 predictedDarkChem Lite v0.1.0 [M+Na]+ 235.91072 predictedDeepCCS 1.0 (2019)
Enzymes
- Kind
- Protein
- Organism
- Humans
- 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
- 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. [Article]
Drug created at June 23, 2017 20:43 / Updated at May 14, 2021 01:06