Isoaminile citrateProduct ingredient for Isoaminile
- Name
- Isoaminile citrate
- 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
- DBSALT002446
- Structure
- Synonyms
- Not Available
- UNII
- 27K34XSD46
- CAS Number
- 28416-66-2
- Weight
- Average: 436.4987
Monoisotopic: 436.220951388 - Chemical Formula
- C22H32N2O7
- InChI Key
- ZXASMEUEMIIBDZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-(dimethylamino)-2-phenyl-2-(propan-2-yl)pentanenitrile
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0672 mg/mL ALOGPS logP 3.44 ALOGPS logP 3.63 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 8.73 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 27.03 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 77.25 m3·mol-1 Chemaxon Polarizability 28.9 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon