This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Penthienate
- DrugBank Accession Number
- DB13695
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Penthienate (DB13695)
- Weight
- Average: 340.5
Monoisotopic: 340.194091424 - Chemical Formula
- C18H30NO3S
- 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.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAclidinium The risk or severity of adverse effects can be increased when Penthienate is combined with Aclidinium. Adenosine The risk or severity of Tachycardia can be increased when Adenosine is combined with Penthienate. Alfentanil The risk or severity of adverse effects can be increased when Penthienate is combined with Alfentanil. Alloin The therapeutic efficacy of Alloin can be decreased when used in combination with Penthienate. Amantadine The risk or severity of adverse effects can be increased when Amantadine is combined with Penthienate. Ambenonium The therapeutic efficacy of Penthienate can be decreased when used in combination with Ambenonium. Amitriptyline The risk or severity of adverse effects can be increased when Penthienate is combined with Amitriptyline. Amitriptylinoxide The risk or severity of adverse effects can be increased when Penthienate is combined with Amitriptylinoxide. Amobarbital The risk or severity of adverse effects can be increased when Amobarbital is combined with Penthienate. Amoxapine The risk or severity of adverse effects can be increased when Penthienate is combined with Amoxapine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- ATC Codes
- A03AB04 — Penthienate
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Heteroaromatic compounds
- Sub Class
- Not Available
- Direct Parent
- Heteroaromatic compounds
- Alternative Parents
- Thiophenes / Tetraalkylammonium salts / Tertiary alcohols / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds show 3 more
- Substituents
- Alcohol / Amine / Aromatic alcohol / Aromatic heteromonocyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Heteroaromatic compound / Hydrocarbon derivative / Monocarboxylic acid or derivatives show 12 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6LCT38OJV9
- CAS number
- 22064-27-3
- InChI Key
- NEMLPWNINZELKP-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1
- IUPAC Name
- (2-{[2-cyclopentyl-2-hydroxy-2-(thiophen-2-yl)acetyl]oxy}ethyl)diethylmethylazanium
- SMILES
- CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)C1=CC=CS1
References
- General References
- Not Available
- External Links
- ChemSpider
- 5843
- ChEBI
- 135447
- ChEMBL
- CHEMBL2110700
- Wikipedia
- Penthienate
Clinical Trials
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
Property Value Source Water Solubility 0.00162 mg/mL ALOGPS logP 0 ALOGPS logP -0.73 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 11.18 Chemaxon pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 104.9 m3·mol-1 Chemaxon Polarizability 38.73 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
Drug created at June 23, 2017 20:46 / Updated at June 12, 2020 16:53