Dimethyl sulfone

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

Identification

Name
Dimethyl sulfone
Accession Number
DB14090
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Dimethyl sulphone
  • Methyl sulfone
  • Methylsulfonyl methane
  • Methylsulfonylmethane
  • MSM
  • Sulfonylbismethane
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
DOCTOR HOYS Arnica BoostDimethyl sulfone (2 g/1mL) + Arnica montana flower (5 g/1mL)CreamTopicalDoctor Hoy's, Llc2013-08-012019-07-18Us
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
Medi-flexx Rx Joint Support FormulaDimethyl sulfone (200 mg/1) + Chondroitin sulfate (chicken) (400 mg/1) + Glucosamine sulfate (500 mg/1)TabletOralTwo Hip Consulting, Llc2014-12-052016-04-11Us
Categories
UNII
9H4PO4Z4FT
CAS number
67-71-0
Weight
Average: 94.133
Monoisotopic: 94.008850126
Chemical Formula
C2H6O2S
InChI Key
HHVIBTZHLRERCL-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
IUPAC Name
methanesulfonylmethane
SMILES
CS(C)(=O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0004983
KEGG Compound
C11142
ChemSpider
5978
BindingDB
50026473
ChEBI
9349
ChEMBL
CHEMBL25028
Wikipedia
Methylsulfonylmethane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableMethamphetamine Abuse / Methamphetamine Dependence / Substance Abuse1
1Unknown StatusSupportive CareOsteoarthritis (OA)1
3RecruitingTreatmentBack Pain Lower Back1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
CreamTopical
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility55.8 mg/mLALOGPS
logP-0.95ALOGPS
logP-1.3ChemAxon
logS-0.23ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity20.53 m3·mol-1ChemAxon
Polarizability8.6 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-MSNot Available
MS/MS Spectrum - Quattro_QQQ 10V, PositiveLC-MS/MSsplash10-0002-9000000000-9896ec507f104ada81f3
MS/MS Spectrum - Quattro_QQQ 25V, PositiveLC-MS/MSsplash10-014i-9000000000-aad0ad2e46e9a93df295
MS/MS Spectrum - Quattro_QQQ 40V, PositiveLC-MS/MSsplash10-014i-9000000000-8cb5ee5ae152833c1e84
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
1H NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
Kingdom
Organic compounds
Super Class
Organosulfur compounds
Class
Sulfonyls
Sub Class
Sulfones
Direct Parent
Sulfones
Alternative Parents
Organic oxides / Hydrocarbon derivatives
Substituents
Sulfone / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
sulfone (CHEBI:9349) / a sulfone (CPD-10437)

Drug created on June 18, 2018 10:42 / Updated on November 02, 2018 07:50