Isoaminile

Identification

Name
Isoaminile
Accession Number
DB08944
Type
Small Molecule
Groups
Approved, Withdrawn
Description

Isoaminile, an antitussive drug with a structure similar to methadone, is also an anticholinergic with both antimuscarinic and antinicotinic properties.

Structure
Thumb
Synonyms
Not Available
External IDs
2C-B-AN
Product Ingredients
IngredientUNIICASInChI Key
Isoaminile citrate27K34XSD4628416-66-2ZXASMEUEMIIBDZ-UHFFFAOYSA-N
Isoaminile cyclamate405585148410075-36-2REVYDCJKWVXJGT-UHFFFAOYSA-N
International/Other Brands
Peracon (Solvay)
Categories
UNII
R4823W2PQL
CAS number
77-51-0
Weight
Average: 244.382
Monoisotopic: 244.193948781
Chemical Formula
C16H24N2
InChI Key
WFLSCFISQHLEED-GOEBONIOSA-N
InChI
InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3/t14-,16+/m0/s1
IUPAC Name
(2R,4S)-4-(dimethylamino)-2-phenyl-2-(propan-2-yl)pentanenitrile
SMILES
CC(C)[C@@](C[C@H](C)N(C)C)(C#N)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

General References
Not Available
External Links
KEGG Drug
D08088
PubChem Compound
12162152
PubChem Substance
310264911
ChemSpider
64873333
Wikipedia
Isoaminile
ATC Codes
R05DB04 — Isoaminile

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
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0672 mg/mLALOGPS
logP3.44ALOGPS
logP3.63ChemAxon
logS-3.6ALOGPS
pKa (Strongest Basic)8.73ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area27.03 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity77.25 m3·mol-1ChemAxon
Polarizability29.31 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Download (3.84 KB)
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 phenylpropanes. These are organic compounds containing a phenylpropane moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylpropanes
Direct Parent
Phenylpropanes
Alternative Parents
Aralkylamines / Trialkylamines / Nitriles / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Phenylpropane / Aralkylamine / Tertiary aliphatic amine / Tertiary amine / Nitrile / Carbonitrile / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organonitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on May 27, 2014 09:34 / Updated on October 01, 2018 16:52