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

Identification

Generic Name
2,3-Dimercapto-1-propanesulfonic acid
DrugBank Accession Number
DB15967
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 188.27
Monoisotopic: 187.96355764
Chemical Formula
C3H8O3S3
Synonyms
  • 2,3-Dimercapto-1-propane sulfonate
  • 2,3-Dimercaptopropan-1-sulfonsaeure
  • 2,3-Dimercaptopropanesulfonic acid
  • DMPS

Pharmacology

Indication

Not Available

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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
086L82361J
CAS number
74-61-3
InChI Key
JLVSRWOIZZXQAD-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)
IUPAC Name
2,3-disulfanylpropane-1-sulfonic acid
SMILES
OS(=O)(=O)CC(S)CS

References

General References
Not Available
KEGG Compound
C10922
ChemSpider
6081
BindingDB
50420189
RxNav
1546352
ChEBI
888
ChEMBL
CHEMBL1624767
Wikipedia
2,3-Dimercapto-1-propanesulfonic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.784 mg/mLALOGPS
logP-0.21ALOGPS
logP-0.078ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)-0.92ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area54.37 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity41.3 m3·mol-1ChemAxon
Polarizability17.08 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 02, 2020 15:15 / Updated at December 02, 2020 17:11