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Substance Name: Unithiol
RN: 4076-02-2
UNII: 690VN2L7TK
InChIKey: FGGPAWQCCGEWTJ-UHFFFAOYSA-M

Note

  • A chelating agent used as an antidote to heavy metal poisoning.

Molecular Formulas

  • C3-H7-O3-S3.Na
  • C3-H8-O3-S3.Na

Molecular Weight

  • 210.2733
 

Classification Codes

  • Antidotes
  • Chelating Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Protective Agents
  • Reproductive Effect
  • Sequestering Agents
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Names and Synonyms

Name of Substance

  • Unithiol

MeSH Heading

  • Unithiol

Synonyms

  • 2,3-Dimercapto-1-propanesulfonic acid sodium salt
  • 2,3-Dimercaptopropane sodium sulphonate
  • 2,3-Dimercaptopropanesulfonic acid sodium salt
  • Dimaval
  • DMPS
  • EINECS 223-796-3
  • Sodium 2,3-dimercaptopropane-1-sulfonate
  • Sodium 2,3-dithiolpropanesulfonate
  • UNII-690VN2L7TK
  • Unithiol
  • Unitiol

Systematic Names

  • 1-Propanesulfonic acid, 2,3-dimercapto-, monosodium salt
  • Sodium 2,3-dimercaptopropanesulphonate

Registry Numbers

CAS Registry Number

  • 4076-02-2

FDA UNII

  • 690VN2L7TK

Other Registry Numbers

  • 37260-06-3
  • 85549-76-4

Related Registry Number

  • 74-61-3 (parent cpd)

System Generated Number

  • 0004076022

Molecular Formulas

Molecular Formulas

  • C3-H7-O3-S3.Na
  • C3-H8-O3-S3.Na

Molecular Formula Fragments

  • C3-H7-O3-S3
  • C3-H8-O3-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1

InChIKey

FGGPAWQCCGEWTJ-UHFFFAOYSA-M

Smiles

S(C[C@@H](CS)S)(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1098mg/kg (1098mg/kg)   Toxicology and Applied Pharmacology. Vol. 61, Pg. 385, 1981.
mouse LD50 subcutaneous 1gm/kg (1000mg/kg)   Farmakologiya i Toksikologiya Vol. 23, Pg. 355, 1960.
rat LD50 intraperitoneal 1055mg/kg (1055mg/kg) BEHAVIORAL: WITHDRAWAL

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1291, 1980.
rat LD50 subcutaneous 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Farmakologiya i Toksikologiya Vol. (6), Pg. 91, 1971.