NAV

L-deprenyl-D2 C-11

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
L-deprenyl-D2 C-11
DrugBank Accession Number
DB12650
Background

L-deprenyl-D2 C-11 is under investigation in clinical trial NCT01701089 (A Study of RO4602522 in Patients With Alzheimer Disease and in Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 188.299
Monoisotopic: 188.160086861
Chemical Formula
C13H17N
Synonyms
  • (11C)L-deprenyl-D2
  • 11c-L-Selegiline-D2
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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
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenethylamines
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropanes / Aralkylamines / Trialkylamines / Acetylides / Hydrocarbon derivatives
Substituents
Acetylide / Amine / Amphetamine or derivatives / Aralkylamine / Aromatic homomonocyclic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Phenylpropane / Tertiary aliphatic amine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
F2796O8AEN
CAS number
118313-25-0
InChI Key
MEZLKOACVSPNER-FDJJMKDCSA-N
InChI
InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1/i3-1,10D2
IUPAC Name
(11C)methyl[(2R)-1-phenylpropan-2-yl][(1,1-2H2)prop-2-yn-1-yl]amine
SMILES
[2H]C([2H])(C#C)N([11CH3])[C@H](C)CC1=CC=CC=C1

References

General References
Not Available
PubChem Compound
90274764
PubChem Substance
347828857
ChemSpider
52084044

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0254 mg/mLALOGPS
logP3.08ALOGPS
logP2.85Chemaxon
logS-3.9ALOGPS
pKa (Strongest Basic)8.67Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area3.24 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity61.35 m3·mol-1Chemaxon
Polarizability22.03 Å3Chemaxon
Number of Rings1Chemaxon
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-MSsplash10-014v-9400000000-44754bfb286c71bb3a72
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-06f2783fa4d0a6791567
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-1900000000-e9a874d9c01e7309f3cf
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9800000000-5c17940ba5c60ec59235
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9000000000-5a5661de62b65e4397d0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gbi-9300000000-2c1b160b6582624e66aa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-9000000000-010fed055e972e0a7085
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]-147.75464
predicted
DeepCCS 1.0 (2019)
[M+H]+150.15028
predicted
DeepCCS 1.0 (2019)
[M+Na]+156.71182
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:27 / Updated at June 12, 2020 16:53