Identification
- Generic Name
- Isoaminile
- DrugBank Accession Number
- DB08944
- Background
Isoaminile, an antitussive drug with a structure similar to methadone, is also an anticholinergic with both antimuscarinic and antinicotinic properties.
- Type
- Small Molecule
- Groups
- Approved, Withdrawn
- Structure
Structure for Isoaminile (DB08944)
- Weight
- Average: 244.382
Monoisotopic: 244.193948781 - Chemical Formula
- C16H24N2
- Synonyms
- Isoaminile
- External IDs
- 2C-B-AN
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Isoaminile citrate 27K34XSD46 28416-66-2 ZXASMEUEMIIBDZ-UHFFFAOYSA-N Isoaminile cyclamate 4055851484 10075-36-2 REVYDCJKWVXJGT-UHFFFAOYSA-N - International/Other Brands
- Peracon (Solvay)
Categories
- ATC Codes
- R05DB04 — Isoaminile
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- Amine / Aralkylamine / Aromatic homomonocyclic compound / Carbonitrile / Hydrocarbon derivative / Nitrile / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Phenylpropane
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- R4823W2PQL
- CAS number
- 77-51-0
- 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
References
- General References
- Not Available
- External Links
Clinical Trials
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
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 5 Chemaxon Refractivity 77.25 m3·mol-1 Chemaxon Polarizability 29.31 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 - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Download (3.84 KB)
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0006-9330000000-79faca120bc1f4265fe6 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-5960000000-7274c768d40e380961c0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000y-4950000000-2f19bea562882dc1936f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dj-0900000000-0c4bd6c3587319805c82 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-7900000000-9bf7c7a1085f53598e06 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00lr-3900000000-19ac53aaf070b876aebc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-3900000000-a674c25ae50f610397dc Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 161.5084 predictedDeepCCS 1.0 (2019) [M+H]+ 163.86671 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.04643 predictedDeepCCS 1.0 (2019)
Drug created at May 27, 2014 15:34 / Updated at February 21, 2021 18:52