Alphaprodine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Alphaprodine
- DrugBank Accession Number
- DB13160
- Background
Not Available
- Type
- Small Molecule
- Groups
- Illicit
- Structure
- Weight
- Average: 261.365
Monoisotopic: 261.172878985 - Chemical Formula
- C16H23NO2
- Synonyms
- Alphaprodine
- dl-alpha-prodine
- External IDs
- ACSCN-9010
- IDS-NA-011
Pharmacology
- Indication
Not Available
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- 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The risk or severity of adverse effects can be increased when Alphaprodine is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of CNS depression can be increased when Acetazolamide is combined with Alphaprodine. Acetophenazine The risk or severity of hypotension and CNS depression can be increased when Acetophenazine is combined with Alphaprodine. Aclidinium The risk or severity of adverse effects can be increased when Aclidinium is combined with Alphaprodine. Agomelatine The risk or severity of CNS depression can be increased when Agomelatine is combined with Alphaprodine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Phenylpiperidines
- Direct Parent
- Phenylpiperidines
- Alternative Parents
- Benzyloxycarbonyls / Aralkylamines / Trialkylamines / Carboxylic acid esters / Amino acids and derivatives / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Benzyloxycarbonyl / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester show 12 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 001O2254AC
- CAS number
- 77-20-3
- InChI Key
- UVAZQQHAVMNMHE-CJNGLKHVSA-N
- InChI
- InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3/t13-,16+/m1/s1
- IUPAC Name
- (3R,4S)-1,3-dimethyl-4-phenylpiperidin-4-yl propanoate
- SMILES
- CCC(=O)O[C@]1(CCN(C)C[C@H]1C)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 204163
- PubChem Substance
- 347829269
- ChemSpider
- 176845
- 594
- ChEMBL
- CHEMBL14309
- ZINC
- ZINC000004626719
- Wikipedia
- Prodine
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 0.475 mg/mL ALOGPS logP 3.24 ALOGPS logP 2.78 Chemaxon logS -2.7 ALOGPS pKa (Strongest Basic) 8.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 76.41 m3·mol-1 Chemaxon Polarizability 29.83 Å3 Chemaxon Number of Rings 2 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)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000i-4910000000-7ba1c4118cde11de4f94 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4r-0490000000-52dcc6f0158209576cf7 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-6090000000-2e14e827f6e09cd4ece9 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052r-2940000000-b8f4cc6d7da4d5e7dbef Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-2490000000-c8c5b6f8604adac84676 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-059i-5930000000-6b1fb0eeb03313cea8cd Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0900000000-bf6d5dbaf956185c868b 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]- 159.88414 predictedDeepCCS 1.0 (2019) [M+H]+ 162.24232 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.33546 predictedDeepCCS 1.0 (2019)
Drug created at December 15, 2016 19:44 / Updated at February 21, 2021 18:54