NAV

Deanol

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

Identification

Generic Name
Deanol
DrugBank Accession Number
DB13352
Background

Deanol is commonly referred to as 2-(dimethylamino)ethanol, dimethylaminoethanol (DMAE) or dimethylethanolamine (DMEA). It holds tertiary amine and primary alcohol groups as functional groups. Deanol has been used in the treatment of attention deficit-hyperactivity disorder (ADHD), Alzheimer's disease, autism, and tardive dyskinesia. It has been also used as an ingredient in skin care, and in cognitive function- and mood-enhancing products.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 89.1362
Monoisotopic: 89.084063979
Chemical Formula
C4H11NO
Synonyms
  • 2-(dimethylamino)ethanol
  • Dimethylethanolamine
External IDs
  • NSC-2652
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Deanol.
AcenocoumarolThe risk or severity of adverse effects can be increased when Deanol is combined with Acenocoumarol.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Deanol.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Deanol.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Deanol.
Food Interactions
Not Available

Categories

ATC Codes
N06BX04 — Deanol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
1,2-aminoalcohols
Alternative Parents
Trialkylamines / Primary alcohols / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
1,2-aminoalcohol / Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Organic oxygen compound / Organooxygen compound / Organopnictogen compound / Primary alcohol / Tertiary aliphatic amine / Tertiary amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
tertiary amine, ethanolamines (CHEBI:271436)
Affected organisms
Not Available

Chemical Identifiers

UNII
2N6K9DRA24
CAS number
108-01-0
InChI Key
UEEJHVSXFDXPFK-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
IUPAC Name
2-(dimethylamino)ethan-1-ol
SMILES
CN(C)CCO

References

General References
Not Available
Human Metabolome Database
HMDB0032231
PubChem Compound
7902
PubChem Substance
347829294
ChemSpider
13854944
BindingDB
50060526
RxNav
3116
ChEBI
271436
ChEMBL
CHEMBL1135
ZINC
ZINC000001641058
Wikipedia
Dimethylethanolamine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility1400.0 mg/mLALOGPS
logP-0.46ALOGPS
logP-0.5Chemaxon
logS1.2ALOGPS
pKa (Strongest Acidic)15.59Chemaxon
pKa (Strongest Basic)9.03Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area23.47 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity26.28 m3·mol-1Chemaxon
Polarizability10.5 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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-MSsplash10-0a4i-9000000000-130bd570c14409d6e264
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-9000000000-5592e4a7e549a923226d
GC-MS Spectrum - CI-BGC-MSsplash10-0006-9000000000-e3c643ae324aae74c4da
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-9000000000-2732583805565c099282
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-9000000000-3e9a264650444af400c5
Mass Spectrum (Electron Ionization)MSsplash10-0a4i-9000000000-7dbd6cd421741814dc20
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-20d8aca752c5080d4bbf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-9000000000-46d017deb0beaf45a57c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-7054212a473a6f651cde
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-0f06deddd6d7914f6c90
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-d600108b8aeaf98e7e69
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-9000000000-cfa678c2167f017a2baf
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
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]-111.1924745
predicted
DarkChem Lite v0.1.0
[M-H]-111.1191745
predicted
DarkChem Lite v0.1.0
[M-H]-110.9997745
predicted
DarkChem Lite v0.1.0
[M-H]-111.1613745
predicted
DarkChem Lite v0.1.0
[M-H]-119.91006
predicted
DeepCCS 1.0 (2019)
[M+H]+111.6006745
predicted
DarkChem Lite v0.1.0
[M+H]+111.7146745
predicted
DarkChem Lite v0.1.0
[M+H]+111.6260745
predicted
DarkChem Lite v0.1.0
[M+H]+111.7314745
predicted
DarkChem Lite v0.1.0
[M+H]+122.1496
predicted
DeepCCS 1.0 (2019)
[M+Na]+111.1876745
predicted
DarkChem Lite v0.1.0
[M+Na]+111.0631745
predicted
DarkChem Lite v0.1.0
[M+Na]+111.0001745
predicted
DarkChem Lite v0.1.0
[M+Na]+111.0614745
predicted
DarkChem Lite v0.1.0
[M+Na]+130.45183
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at June 12, 2020 16:53