NAV

Dextromethadone

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

Identification

Generic Name
Dextromethadone
DrugBank Accession Number
DB15198
Background

Dextromethadone is under investigation in clinical trial NCT00588640 (Study of D-Methadone in Patients With Chronic Pain).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 309.453
Monoisotopic: 309.209264493
Chemical Formula
C21H27NO
Synonyms
  • D-methadone
External IDs
  • REL-1017
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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
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dextromethadone hydrochloride1Q1YXA5GYG15284-15-8FJQXCDYVZAHXNS-LMOVPXPDSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Aralkylamines / Gamma-amino ketones / Trialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic homomonocyclic compound / Carbonyl group / Diphenylmethane / Gamma-aminoketone / Hydrocarbon derivative / Ketone / Organic nitrogen compound / Organic oxide
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
S95RZH8AMH
CAS number
5653-80-5
InChI Key
USSIQXCVUWKGNF-KRWDZBQOSA-N
InChI
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
IUPAC Name
(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one
SMILES
CCC(=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
559067
BindingDB
50223640
ChEBI
167308
ChEMBL
CHEMBL350719
ZINC
ZINC000001530707
Wikipedia
Esmethadone

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentMajor Depressive Disorder (MDD)3
3RecruitingTreatmentDepression / Major Depressive Disorder (MDD)2
2CompletedTreatmentMajor Depressive Disorder (MDD) / Treatment Resistant Depressive Disorder1
2RecruitingTreatmentRestless Legs Syndrome (RLS)1
1CompletedBasic ScienceNeuropathic Pain2

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 Solubility0.0059 mg/mLALOGPS
logP4.14ALOGPS
logP5.01Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)19.79Chemaxon
pKa (Strongest Basic)9.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area20.31 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity97.27 m3·mol-1Chemaxon
Polarizability36.08 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-2049000000-e4dc57c9820c45a073f6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0195000000-9ceca80e6194b023ef37
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0mvl-5091000000-bedeea2c566c5eed9730
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aor-1590000000-acdafc2b8098d3d28d12
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-2940000000-7725c672d6932f42dc70
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-1910000000-27eccf3db1d5c07158a4
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:58 / Updated at September 28, 2023 05:48