This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
Structure for L-deprenyl-D2 C-11 (DB12650)
- Weight
- Average: 188.299
Monoisotopic: 188.160086861 - Chemical Formula
- C13H17N
- Synonyms
- (11C)L-deprenyl-D2
- 11c-L-Selegiline-D2
Pharmacology
- Indication
Not Available
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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
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
- External Links
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 0.0254 mg/mL ALOGPS logP 3.08 ALOGPS logP 2.85 Chemaxon logS -3.9 ALOGPS pKa (Strongest Basic) 8.67 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.24 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 61.35 m3·mol-1 Chemaxon Polarizability 22.03 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)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-014v-9400000000-44754bfb286c71bb3a72 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9400000000-06f2783fa4d0a6791567 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-1900000000-e9a874d9c01e7309f3cf Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-9800000000-5c17940ba5c60ec59235 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000f-9000000000-5a5661de62b65e4397d0 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0gbi-9300000000-2c1b160b6582624e66aa Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00kf-9000000000-010fed055e972e0a7085 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]- 147.75464 predictedDeepCCS 1.0 (2019) [M+H]+ 150.15028 predictedDeepCCS 1.0 (2019) [M+Na]+ 156.71182 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:27 / Updated at June 12, 2020 16:53