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Substance Name: beta-Alanine, N-(5-bromo-1-naphthalenyl)-, monosodium salt (9CI)
RN: 34592-40-0
InChIKey: RRIDKYHXOCWSLJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Br-N-O2.Na

Molecular Weight

  • 316.129
 
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Names and Synonyms

Synonym

  • N-(5-Bromo-1-naphthyl)-beta-alanine sodium salt

Systematic Names

  • beta-Alanine, N-(5-bromo-1-naphthalenyl)-, monosodium salt (9CI)
  • beta-Alanine, N-(5-bromo-1-naphthyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 34592-40-0

System Generated Number

  • 0034592400

Molecular Formulas

Molecular Formula

  • C13-H11-Br-N-O2.Na

Molecular Formula Fragments

  • C13-H11-Br-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H12BrNO2.Na/c14-11-5-1-4-10-9(11)3-2-6-12(10)15-8-7-13(16)17;/h1-6,15H,7-8H2,(H,16,17);/q;+1/p-1

InChIKey

RRIDKYHXOCWSLJ-UHFFFAOYSA-M

Smiles

c12c(cccc1NCCC(=O)[O-])c(ccc2)Br.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 125mg/kg (125mg/kg)   Pharmaceutical Chemistry Journal Vol. 5, Pg. 478, 1971.