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Substance Name: Dichloroacetate
RN: 13425-80-4
InChIKey: JXTHNDFMNIQAHM-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 Formula

  • C2-H-Cl2-O2

Molecular Weight

  • 127.9339
 

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Dichloroacetate

MeSH Heading

  • Dichloroacetate

Synonyms

  • BRN 3903873
  • Dichloracetate
  • Dichloroacetate
  • Dichloroacetate ion
  • Dichloroacetic acid ion(1-)

Systematic Name

  • Acetic acid, dichloro-, ion(1-)

Registry Numbers

CAS Registry Number

  • 13425-80-4

Related Registry Number

  • 79-43-6 (Acid)

System Generated Number

  • 0013425804

Structure Descriptors

InChI

1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1

InChIKey

JXTHNDFMNIQAHM-UHFFFAOYSA-M

Smiles

C(C(=O)[O-])(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 50mg/kg/16W-I (50mg/kg) PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
New England Journal of Medicine. Vol. 300, Pg. 372, 1979.