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Substance Name: Sodium dichloroacetate [USAN]
RN: 2156-56-1
UNII: 42932X67B5
InChIKey: LUPNKHXLFSSUGS-UHFFFAOYSA-M

Note

  • An acetic acid derivative that is a metabolite of TRICHLOROETHYLENE and is formed during chlorine disinfection of drinking water. It has effects on GLUCOSE metabolism, lowers LACTATE, and activates the PYRUVATE DEHYDROGENASE COMPLEX.

Molecular Formulas

  • C2-H-Cl2-O2.Na
  • C2-H2-Cl2-O2.Na

Molecular Weight

  • 150.9239
 

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Treatment of Neurologic Injury (Pyruvate Dehydrogenase Activator)
  • Tumor Data
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Names and Synonyms

Name of Substance

  • CPC 211
  • Sodium dichloroacetate [USAN]

Synonyms

  • CCRIS 7697
  • Ceresine
  • CPC 211
  • CPC-211
  • DCA
  • Dichloroacetate Sodium
  • Dichloroacetic acid sodium salt
  • Dichloroacetic acid, sodium salt
  • Dichloroctan sodny
  • Dichloroctan sodny [Czech]
  • EINECS 218-461-3
  • Sodium dichloroacetate
  • UNII-42932X67B5

Systematic Names

  • Acetic acid, dichloro-, sodium salt
  • Sodium dichloroacetate

Registry Numbers

CAS Registry Number

  • 2156-56-1

FDA UNII

  • 42932X67B5

System Generated Number

  • 0002156561

Molecular Formulas

Molecular Formulas

  • C2-H-Cl2-O2.Na
  • C2-H2-Cl2-O2.Na

Molecular Formula Fragments

  • C2-H-Cl2-O2
  • C2-H2-Cl2-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1

InChIKey

LUPNKHXLFSSUGS-UHFFFAOYSA-M

Smiles

C(C(Cl)Cl)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 10, Pg. 370, 1962.
mouse LD50 oral 4845mg/kg (4845mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 222, Pg. 501, 1982.
rat LD50 oral 5281mg/kg (5281mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 78, 1941.