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Substance Name: Butanoic acid, 2-bromo-, sodium salt (9CI)
RN: 58113-95-4
InChIKey: OJTYQIKZPLCFIO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H6-Br-O2.Na

Molecular Weight

  • 188.9834
 
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Names and Synonyms

Synonyms

  • Sodium 2-bromobutanoate
  • Sodium 2-bromobutyrate
  • Sodium alpha-bromobutyrate

Systematic Names

  • Butanoic acid, 2-bromo-, sodium salt (9CI)
  • Butyric acid, 2-bromo-, sodium salt

Registry Numbers

CAS Registry Number

  • 58113-95-4

System Generated Number

  • 0058113954

Molecular Formulas

Molecular Formula

  • C4-H6-Br-O2.Na

Molecular Formula Fragments

  • C4-H6-Br-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C4H7BrO2.Na/c1-2-3(5)4(6)7;/h3H,2H2,1H3,(H,6,7);/q;+1/p-1

InChIKey

OJTYQIKZPLCFIO-UHFFFAOYSA-M

Smiles

CCC(C(=O)[O-])Br.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 310mg/kg (310mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 336, 1946.