Isoaminile cyclamateProduct ingredient for Isoaminile

Name
Isoaminile cyclamate
Drug Entry
Isoaminile

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

Accession Number
DBSALT002447
Structure
Synonyms
Not Available
UNII
4055851484
CAS Number
10075-36-2
Weight
Average: 423.62
Monoisotopic: 423.255563237
Chemical Formula
C22H37N3O3S
InChI Key
REVYDCJKWVXJGT-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N2.C6H13NO3S/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;8-11(9,10)7-6-4-2-1-3-5-6/h6-10,13-14H,11H2,1-5H3;6-7H,1-5H2,(H,8,9,10)
IUPAC Name
4-(dimethylamino)-2-phenyl-2-(propan-2-yl)pentanenitrile; N-cyclohexylsulfamic acid
SMILES
OS(=O)(=O)NC1CCCCC1.CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1
ChemSpider
100485
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 Count6Chemaxon
Refractivity77.25 m3·mol-1Chemaxon
Polarizability28.9 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon