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Substance Name: Pentanoic acid, 2-bromo-, sodium salt (9CI)
RN: 93854-66-1
InChIKey: WGTCOMZSESVZQR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H8-Br-O2.Na

Molecular Weight

  • 203.0102
 
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Names and Synonyms

Synonyms

  • Sodium 2-bromopentanoate
  • Sodium 2-bromovalerate
  • Sodium alpha-bromovalerate
  • Valeric acid, alpha-bromo-, sodium salt

Systematic Names

  • Pentanoic acid, 2-bromo-, sodium salt (9CI)
  • Valeric acid, 2-bromo-, sodium salt

Registry Numbers

CAS Registry Number

  • 93854-66-1

System Generated Number

  • 0093854661

Molecular Formulas

Molecular Formula

  • C5-H8-Br-O2.Na

Molecular Formula Fragments

  • C5-H8-Br-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C5H9BrO2.Na/c1-2-3-4(6)5(7)8;/h4H,2-3H2,1H3,(H,7,8);/q;+1/p-1

InChIKey

WGTCOMZSESVZQR-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 380mg/kg (380mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 86, Pg. 336, 1946.