Isoaminile cyclamateProduct ingredient for Isoaminile

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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.

See full entry for Isoaminile
Accession Number
DBSALT002447
Structure
Similar Structures
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