Dimethyl sulfone

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

Identification

Generic Name
Dimethyl sulfone
DrugBank Accession Number
DB14090
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
Weight
Average: 94.133
Monoisotopic: 94.008850126
Chemical Formula
C2H6O2S
Synonyms
  • Dimethyl sulphone
  • Methyl sulfone
  • Methylsulfonyl methane
  • Methylsulfonylmethane
  • MSM
  • Sulfonylbismethane

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination for symptomatic treatment ofOsteoarthritis of the kneeCombination Product in combination with: Chondroitin sulfate (DB09301), Glucosamine (DB01296)••• •••••••••• ••• ••••••••• ••••••• ••••••• •••••••
Treatment ofPain, inflammatory••• •••••••••
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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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Dpheal Sul 16 HotGel10.0 g/100mLTopicalMSMINERAL CO.,Ltd.2021-11-01Not applicableUS flag
MsmTablet0.51 g/0.51gOralInc MBG2019-01-24Not applicableUS flag
MSM2000 PremiumTablet500 mg/506mgOralVigen medical2021-12-01Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Conart-MSM Sachet for Oral SolutionDimethyl sulfone (1500 mg) + Chondroitin sulfate (1200 mg) + Glucosamine sulfate (1500 mg)Powder, for solutionOralAV MANUFACTURING SDN.BHD2020-09-08Not applicableMalaysia flag
Condrosa-MSM Sachet for Oral SolutionDimethyl sulfone (1500 mg) + Chondroitin sulfate (bovine) (1200 mg) + Glucosamine sulfate (1500 mg)PowderOralAV MANUFACTURING SDN.BHD2020-09-08Not applicableMalaysia flag
Cosamine Plus Forte M PowderDimethyl sulfone (300 mg) + Chondroitin sulfate (400 mg) + Glucosamine hydrochloride (472 mg)Powder, for solutionOralHovid Berhad2020-09-08Not applicableMalaysia flag
DOCTOR HOYS Arnica BoostDimethyl sulfone (2 g/1mL) + Arnica montana flower (5 g/1mL)CreamTopicalDoctor Hoy's, Llc2013-08-012019-07-18US flag
Donna Gluco-C Plus MSM CapsuleDimethyl sulfone (150 mg) + Chondroitin sulfate (100 mg) + Glucosamine (250 mg)CapsuleOralDuopharma Marketing Sdn. Bhd.2020-09-08Not applicableMalaysia flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
DOCTOR HOYS Arnica BoostDimethyl sulfone (2 g/1mL) + Arnica montana flower (5 g/1mL)CreamTopicalDoctor Hoy's, Llc2013-08-012019-07-18US flag
Dpheal Sul 16 CoolDimethyl sulfone (0.02 g/100mL) + Menthol (3.65 g/100mL)GelTopicalMSMINERAL CO.,Ltd.2021-11-01Not applicableUS flag
Dpheal Sul 16 HotDimethyl sulfone (10.0 g/100mL)GelTopicalMSMINERAL CO.,Ltd.2021-11-01Not applicableUS flag
Goodoh EnergyCreamDimethyl sulfone (1 g/100mL) + N-Acetylglucosamine (1 g/100mL)CreamTopicalPowerfulX2021-05-24Not applicableUS flag
IMPLAHeal P.OCreamDimethyl sulfone (1 g/100mL) + N-Acetylglucosamine (2 g/100mL)CreamTopicalThreedayslove Co., Ltd.2019-12-16Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aliphatic acyclic compound / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Sulfone
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
sulfone (CHEBI:9349) / a sulfone (CPD-10437)
Affected organisms
Not Available

Chemical Identifiers

UNII
9H4PO4Z4FT
CAS number
67-71-0
InChI Key
HHVIBTZHLRERCL-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
IUPAC Name
methanesulfonylmethane
SMILES
CS(C)(=O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0004983
KEGG Compound
C11142
ChemSpider
5978
BindingDB
50026473
RxNav
23247
ChEBI
9349
ChEMBL
CHEMBL25028
ZINC
ZINC000004658606
Wikipedia
Methylsulfonylmethane

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentBack Pain Lower Back1
1Unknown StatusSupportive CareOsteoarthritis (OA)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
CreamTopical
GelTopical
GelTopical10.0 g/100mL
CapsuleOral
TabletOral500 mg
Tablet, effervescentOral
PowderOral
TabletOral
Tablet, film coated
Capsule, coatedOral
TabletOral
TabletOral0.51 g/0.51g
TabletOral500 mg/506mg
Tablet, delayed releaseOral
Powder, for solutionOral
LotionTopical
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-MSsplash10-002f-9000000000-3e72edc8bd8e168298a0
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/MSsplash10-0002-9000000000-949fe1174de58b86105e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-9000000000-4e14b8e9e9fa09c40de9
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-7420c0e785acf6627087
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-9000000000-0eed4f334b6da708c5a3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-e68dcdc8c50372437a6a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-5bba485552f92e79e098
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-9000000000-949fe1174de58b86105e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-7420c0e785acf6627087
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-9000000000-4e14b8e9e9fa09c40de9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-e68dcdc8c50372437a6a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-9000000000-0eed4f334b6da708c5a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-5bba485552f92e79e098
1H NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-106.9198157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9157157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9206157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9079157
predicted
DarkChem Lite v0.1.0
[M-H]-123.98776
predicted
DeepCCS 1.0 (2019)
[M-H]-106.9198157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9157157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9206157
predicted
DarkChem Lite v0.1.0
[M-H]-106.9079157
predicted
DarkChem Lite v0.1.0
[M-H]-123.98776
predicted
DeepCCS 1.0 (2019)
[M+H]+108.2282157
predicted
DarkChem Lite v0.1.0
[M+H]+108.2922157
predicted
DarkChem Lite v0.1.0
[M+H]+108.1483157
predicted
DarkChem Lite v0.1.0
[M+H]+108.2046157
predicted
DarkChem Lite v0.1.0
[M+H]+126.785225
predicted
DeepCCS 1.0 (2019)
[M+H]+108.2282157
predicted
DarkChem Lite v0.1.0
[M+H]+108.2922157
predicted
DarkChem Lite v0.1.0
[M+H]+108.1483157
predicted
DarkChem Lite v0.1.0
[M+H]+108.2046157
predicted
DarkChem Lite v0.1.0
[M+H]+126.785225
predicted
DeepCCS 1.0 (2019)
[M+Na]+107.1897157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.1648157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.2579157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.2799157
predicted
DarkChem Lite v0.1.0
[M+Na]+134.91058
predicted
DeepCCS 1.0 (2019)
[M+Na]+107.1897157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.1648157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.2579157
predicted
DarkChem Lite v0.1.0
[M+Na]+107.2799157
predicted
DarkChem Lite v0.1.0
[M+Na]+134.91058
predicted
DeepCCS 1.0 (2019)

Drug created at June 18, 2018 16:42 / Updated at April 01, 2022 19:23