Alphaprodine

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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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Alphaprodine is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Alphaprodine.
AcetophenazineThe risk or severity of hypotension and CNS depression can be increased when Acetophenazine is combined with Alphaprodine.
AclidiniumThe risk or severity of adverse effects can be increased when Aclidinium is combined with Alphaprodine.
AgomelatineThe 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
PubChem Compound
204163
PubChem Substance
347829269
ChemSpider
176845
RxNav
594
ChEMBL
CHEMBL14309
ZINC
ZINC000004626719
Wikipedia
Prodine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.475 mg/mLALOGPS
logP3.24ALOGPS
logP2.78Chemaxon
logS-2.7ALOGPS
pKa (Strongest Basic)8.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area29.54 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity76.41 m3·mol-1Chemaxon
Polarizability29.83 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-000i-4910000000-7ba1c4118cde11de4f94
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0490000000-52dcc6f0158209576cf7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-6090000000-2e14e827f6e09cd4ece9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-2940000000-b8f4cc6d7da4d5e7dbef
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-2490000000-c8c5b6f8604adac84676
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-059i-5930000000-6b1fb0eeb03313cea8cd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0900000000-bf6d5dbaf956185c868b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-159.88414
predicted
DeepCCS 1.0 (2019)
[M+H]+162.24232
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.33546
predicted
DeepCCS 1.0 (2019)

Drug created at December 15, 2016 19:44 / Updated at February 21, 2021 18:54