DIMETHYL SULFOXIDE

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Search structure


Trade Names	DIMETHYL SULFOXIDE RIMSO-50
Synonyms	DMSO Dimethyl sulfoxide Domoso Infiltrina NSC-763 Rimso 50 Rimso-50 SQ 9453 SQ-9453 Syntexan
Status
Molecule Category	Free-form
ATC	G04BX13 M02AX03
UNII	YOW8V9698H
EPA CompTox	DTXSID2021735

Structure


InChI Key	IAZDPXIOMUYVGZ-UHFFFAOYSA-N
Smiles	C[S+](C)[O-]
InChI	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C2H6OS
Molecular Weight	78.14
AlogP	-0.01
Hydrogen Bond Acceptor	1.0
Polar Surface Area	17.07
Heavy Atoms	4.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily	-	-	-	-	4.89
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	-	-	-	-	4

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	4
Escherichia coli	-	-	-	-	2.8
Homo sapiens	-	-	-	-	4.89-67.7
Mus musculus	-	-	-	-	15
Trypanosoma cruzi	-	-	-	-	0-0

Cross References

Resources	Reference
CAS NUMBER	67-68-5
ChEBI	28262
ChEMBL	CHEMBL504
DrugBank	DB01093
DrugCentral	906
FDA SRS	YOW8V9698H
Human Metabolome Database	HMDB0002151
KEGG	C11143
PDB	DMS
PharmGKB	PA449342
PubChem	679
SureChEMBL	SCHEMBL59
ZINC	ZINC000005224188

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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Last update: Monday, 23^rd March 2026