NAV

Penthienate

This drug entry is astuband 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
 3D
Similar Structures
Weight
Average: 340.5
Monoisotopic: 340.194091424
Chemical Formula
C18H30NO3S
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

的体积分布

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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" 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
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interactions in your software
Aclidinium 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.
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Food Interactions
Not Available

Categories

ATC Codes
A03AB04 — Penthienate
Drug Categories
Chemical TaxonomyProvided byClassyfire
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
受影响的生物
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

一般References
Not Available
ChemSpider
5843
ChEBI
135447
ChEMBL
CHEMBL2110700
Wikipedia
Penthienate

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count

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