U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O4S2
Molecular Weight 242.356
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFONETHYLMETHANE

SMILES

CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC

InChI

InChIKey=LKACJLUUJRMGFK-UHFFFAOYSA-N
InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3

HIDE SMILES / InChI
Molecular Formula C8H18O4S2
Molecular Weight 242.356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

1895
3
Doses

Doses

DosePopulationAdverse events​
1 g 1 times / day single, oral
Studied dose
Dose: 1 g, 1 times / day
Route: oral
Route: single
Dose: 1 g, 1 times / day
Co-administed with::
sulphonal(12 grains; 12 per 24 hr, during 4 to 5 weeks)
Sources:
https://jamanetwork.com/journals/jama/article-abstract/452306
unhealthy, 39 years
n = 1
Health Status: unhealthy
Condition: chronic neurasthenia
Age Group: 39 years
Sex: M
Population Size: 1
Sources:
https://jamanetwork.com/journals/jama/article-abstract/452306
Other AEs: Haematoporphyrinuria...
Other AEs:
Haematoporphyrinuria
Sources:
https://jamanetwork.com/journals/jama/article-abstract/452306
1 g 1 times / day multiple, oral
Studied dose
Dose: 1 g, 1 times / day
Route: oral
Route: multiple
Dose: 1 g, 1 times / day
Sources:
https://www.nejm.org/doi/pdf/10.1056/NEJM192409111911105
unhealthy, 44 years
n = 1
Health Status: unhealthy
Condition: nervousness, insomnia
Age Group: 44 years
Sex: F
Population Size: 1
Sources:
https://www.nejm.org/doi/pdf/10.1056/NEJM192409111911105
Other AEs: Death...
Other AEs:
Death
Sources:
https://www.nejm.org/doi/pdf/10.1056/NEJM192409111911105
1 g 1 times / 2 days multiple, oral
Studied dose
Dose: 1 g, 1 times / 2 days
Route: oral
Route: multiple
Dose: 1 g, 1 times / 2 days
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
unhealthy, 50 years
n = 1
Health Status: unhealthy
Condition: depression, insomnia, gastric disorders
Age Group: 50 years
Sex: M
Population Size: 1
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
Other AEs: Neuritis NOS, Haematoporphyrinuria...
Other AEs:
Neuritis NOS
Haematoporphyrinuria
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
1.3 g 1 times / day single, oral
Studied dose
Dose: 1.3 g, 1 times / day
Route: oral
Route: single
Dose: 1.3 g, 1 times / day
Sources:
https://jamanetwork.com/journals/jama/article-abstract/463394
unhealthy, adult
n = 1
Health Status: unhealthy
Condition: insomnia
Age Group: adult
Sex: M
Population Size: 1
Sources:
https://jamanetwork.com/journals/jama/article-abstract/463394
Other AEs: Drowsiness...
Other AEs:
Drowsiness
Sources:
https://jamanetwork.com/journals/jama/article-abstract/463394
AEs

AEs

AESignificanceDosePopulation
Haematoporphyrinuria
1 g 1 times / day single, oral
Studied dose
Dose: 1 g, 1 times / day
Route: oral
Route: single
Dose: 1 g, 1 times / day
Co-administed with::
sulphonal(12 grains; 12 per 24 hr, during 4 to 5 weeks)
Sources:
https://jamanetwork.com/journals/jama/article-abstract/452306
unhealthy, 39 years
n = 1
Health Status: unhealthy
Condition: chronic neurasthenia
Age Group: 39 years
Sex: M
Population Size: 1
Sources:
https://jamanetwork.com/journals/jama/article-abstract/452306
Death
1 g 1 times / day multiple, oral
Studied dose
Dose: 1 g, 1 times / day
Route: oral
Route: multiple
Dose: 1 g, 1 times / day
Sources:
https://www.nejm.org/doi/pdf/10.1056/NEJM192409111911105
unhealthy, 44 years
n = 1
Health Status: unhealthy
Condition: nervousness, insomnia
Age Group: 44 years
Sex: F
Population Size: 1
Sources:
https://www.nejm.org/doi/pdf/10.1056/NEJM192409111911105
Haematoporphyrinuria
1 g 1 times / 2 days multiple, oral
Studied dose
Dose: 1 g, 1 times / 2 days
Route: oral
Route: multiple
Dose: 1 g, 1 times / 2 days
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
unhealthy, 50 years
n = 1
Health Status: unhealthy
Condition: depression, insomnia, gastric disorders
Age Group: 50 years
Sex: M
Population Size: 1
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
Neuritis NOS
1 g 1 times / 2 days multiple, oral
Studied dose
Dose: 1 g, 1 times / 2 days
Route: oral
Route: multiple
Dose: 1 g, 1 times / 2 days
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
unhealthy, 50 years
n = 1
Health Status: unhealthy
Condition: depression, insomnia, gastric disorders
Age Group: 50 years
Sex: M
Population Size: 1
Sources:
https://zenodo.org/record/1789312/files/article.pdf?download=1
Drowsiness
1.3 g 1 times / day single, oral
Studied dose
Dose: 1.3 g, 1 times / day
Route: oral
Route: single
Dose: 1.3 g, 1 times / day
Sources:
https://jamanetwork.com/journals/jama/article-abstract/463394
unhealthy, adult
n = 1
Health Status: unhealthy
Condition: insomnia
Age Group: adult
Sex: M
Population Size: 1
Sources:
https://jamanetwork.com/journals/jama/article-abstract/463394
Sourcing

Sourcing

Vendor/AggregatorIDURL
3B Scientific (Wuhan) Corp
3B3-022834
http://www.3bsc.com/index/pro_info.php?id=43910
ABI Chem
AC1L1MIU
ABI Chem
AC1Q2RZO
AHH Chemical co.,ltd
MT-30881
http://www.ahhchemical.com/product/MT-30881.html
Ambinter
Amb2221981
http://www.ambinter.com/reference/2221981
Chemieliva Pharmaceutical Co., Ltd
PBCM0818698
Debye Scientific
DS-007311
http://www.debyesci.com/cas_76-20-0.html
Enamine
BBV-40204292
LGC Standards
LGCFOR3149.00
https://www.lgcstandards.com/US/en/p/LGCFOR3149.00
LGC Standards
MM3149.00
https://www.lgcstandards.com/US/en/p/MM3149.00
MP Biomedicals
201338
NovoSeek
6433
Scientific Exchange
POD_54/0791
Smolecule
S544193
http://www.smolecule.com/products/s544193
THE BioTek
bt-282785
https://www.thebiotek.com/product/inhibitors/bt-282785
Tetrahedron
TS26899
TimTec
ST45025623
http://www.echemstore.com/st45025623-1-1-bis-ethylsulfonyl-1-methylpropane.html
ZINC
ZINC000000002115
http://zinc15.docking.org/substances/ZINC000000002115
mcule
MCULE-2164971606
https://mcule.com/MCULE-2164971606/
PubMed

PubMed

TitleDatePubMed
Estimating probabilities of peptide database identifications to LC-FTICR-MS observations.
2006 Feb 24
Costs of payment in Thai acute coronary syndrome patients.
2007 Oct
Patents

Patents

JP1022898A
1
JP2000319357A
1
JP2002131536A
1
JP3094074B2
1
JP3630424B2
1
JPH07138347A
1
JPS06230735A
1
JPS63150224A
1
JPS63175327A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:55 GMT 2023
Edited
by admin
on Fri Dec 15 15:59:55 GMT 2023
Record UNII
217727W28W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFONETHYLMETHANE
MI  
Common Name English
Methylsulfonal [WHO-DD]
Common Name English
NSC-3994
Code English
TRIONAL
Common Name English
SULFONETHYLMETHANE [MI]
Common Name English
METHYLSULPHONAL
Common Name English
DIETHYLSULFONMETHYLETHYLMETHANE
Common Name English
TRIONALON
Common Name English
METHYLSULFONAL
WHO-DD  
Common Name English
2,2-BIS(ETHYLSULFONYL)BUTANE
Systematic Name English
SULPHONETHYLMETHANE
Common Name English
Classification Tree Code System Code
DEA NO. 2605
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
200-942-4
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
CAS
76-20-0
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL1990189
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
EVMPD
SUB14564MIG
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID7046411
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
FDA UNII
217727W28W
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
PUBCHEM
6433
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
MERCK INDEX
m10358
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C74379
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
WIKIPEDIA
TRIONAL
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
SMS_ID
100000076220
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
DRUG CENTRAL
3570
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
NSC
3994
Created by admin on Fri Dec 15 15:59:55 GMT 2023 , Edited by admin on Fri Dec 15 15:59:55 GMT 2023
PRIMARY
Related Record Type Details
Structure of SULFONETHYLMETHANE
ACTIVE MOIETY
NIH
NCATS
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