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Substance Name: Propanoic acid, 2-bromo-, sodium salt (9CI)
RN: 56985-74-1
InChIKey: NHEFSTXHZRGAIH-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C3-H4-Br-O2.Na
  • C3-H5-Br-O2.Na

Molecular Weight

  • 174.957
 
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Names and Synonyms

Synonyms

  • 2-Bromopropanoic acid sodium salt
  • EINECS 260-501-7
  • Sodium 2-bromopropanoate
  • Sodium 2-bromopropionate
  • Sodium alpha-bromopropionate

Systematic Names

  • Propanoic acid, 2-bromo-, sodium salt (9CI)
  • Propionic acid, 2-bromo-, sodium salt
  • Sodium 2-bromopropionate

Registry Numbers

CAS Registry Number

  • 56985-74-1

System Generated Number

  • 0056985741

Molecular Formulas

Molecular Formulas

  • C3-H4-Br-O2.Na
  • C3-H5-Br-O2.Na

Molecular Formula Fragments

  • C3-H4-Br-O2
  • C3-H5-Br-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C3H5BrO2.Na/c1-2(4)3(5)6;/h2H,1H3,(H,5,6);/q;+1/p-1

InChIKey

NHEFSTXHZRGAIH-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 336, 1946.