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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL504
CHEMBL504
Compound Name DIMETHYL SULFOXIDE
ChEMBL Synonyms Domoso | SQ-9453 | Rimso 50 | DMSO | Rimso-50 | Dimethyl Sulfoxide | Syntexan | Infiltrina
Max Phase 4 (Approved)
Trade Names Dimethyl Sulfoxide | DMSO | Domoso | Rimso 50 | Rimso-50 | Syntexan | Infiltrina
Molecular Formula C2H6OS

Additional synonyms for CHEMBL504 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[S+](C)[O-]
Standard InChI InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
Standard InChI Key IAZDPXIOMUYVGZ-UHFFFAOYSA-N

Molecule Features

CHEMBL504 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 5 structural alerts for CHEMBL504. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL504

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
78.1 78.0139 -0.32 0 36.28 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 1 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.41 -1.41 0 4 0.39

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M02 - TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02A - TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M02AX - Other topical products for joint and muscular pain
M02AX03 - dimethyl sulfoxide

G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - Urologicals
G04BX - Other urologicals
G04BX13 - dimethyl sulfoxide

ChemSpider ChemSpider:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
DailyMed dimethyl sulfoxide
PubChem SID: 144211274 SID: 26757375
Wikipedia Dimethyl_sulfoxide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL504



ACToR 164071-41-4 67-68-5
Atlas dimethyl sulfoxide DMSO DMSO control
BindingDB 50026472
ChEBI 28262
DrugBank DB01093
eMolecules 483582
EPA CompTox Dashboard DTXSID2021735
FDA SRS YOW8V9698H
Human Metabolome Database HMDB02151
KEGG Ligand C11143
LINCS LSM-36361
Mcule MCULE-2005841258
Nikkaji J1.933J J1.130.885F
NMRShiftDB 10016695
PDBe DMS
PharmGKB PA449342
PubChem 679
PubChem: Thomson Pharma 14747335
SureChEMBL SCHEMBL59
ZINC ZINC05224188

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IAZDPXIOMUYVGZ-UHFFFAOYSA-N spacer
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