Cloperastine

Identification

Name
Cloperastine
Accession Number
DB09002
Type
Small Molecule
Groups
Experimental
Description

Cloperastine is a cough suppressant that acts on the central nervous system.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Cloperastine hydrochloridePI4N7C63ND14984-68-0UNPLRYRWJLTVAE-UHFFFAOYSA-N
Categories
UNII
69M5L7BXEK
CAS number
3703-76-2
Weight
Average: 329.864
Monoisotopic: 329.154642102
Chemical Formula
C20H24ClNO
InChI Key
FLNXBVJLPJNOSI-UHFFFAOYSA-N
InChI
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
IUPAC Name
1-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}piperidine
SMILES
ClC1=CC=C(C=C1)C(OCCN1CCCCC1)C1=CC=CC=C1

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
Not Available
Food Interactions
Not Available

References

Synthesis Reference

Merck Index 2358.

General References
  1. Serrano M, Sanz-Cuesta M, Villaronga M, Hayek LF, Perez-Duenas B: Cloperastine-based cough syrup and acute dystonic reactions. Dev Med Child Neurol. 2012 Mar;54(3):287. doi: 10.1111/j.1469-8749.2011.04105.x. [PubMed:22324643]
External Links
KEGG Drug
D03557
PubChem Compound
2805
PubChem Substance
310264962
ChemSpider
2703
ChEBI
94448
ChEMBL
CHEMBL415087
Drugs.com
Drugs.com Drug Page
Wikipedia
Cloperastine
ATC Codes
R05DB21 — Cloperastine

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
boiling point (°C)178-180Merck Index 2358.
Predicted Properties
PropertyValueSource
Water Solubility0.000765 mg/mLALOGPS
logP5.08ALOGPS
logP5.11ChemAxon
logS-5.6ALOGPS
pKa (Strongest Basic)8.82ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.47 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity96.87 m3·mol-1ChemAxon
Polarizability37.23 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Benzylethers / Chlorobenzenes / Piperidines / Aryl chlorides / Trialkylamines / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
Substituents
Diphenylmethane / Benzylether / Chlorobenzene / Halobenzene / Aryl chloride / Aryl halide / Piperidine / Tertiary aliphatic amine / Tertiary amine / Organoheterocyclic compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 17, 2014 11:02 / Updated on October 01, 2018 16:33