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Substance Name: Benzenepropanoic acid, 3-(aminocarbonyl)-2,4-tribromo-, monosodium salt
RN: 128595-48-2
InChIKey: MJZJNYQSRNMLEA-UHFFFAOYSA-M

Molecular Formula

  • C10-H7-Br3-N-O3.Na

Molecular Weight

  • 451.8713
 
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Names and Synonyms

Synonyms

  • Monosodium 3-(aminocarbonyl)-2,4-tribromobenzenepropanoate
  • Sodium 3-(3-carbamoyl-2,4,6-tribromophenyl)propionic acid

Systematic Name

  • Benzenepropanoic acid, 3-(aminocarbonyl)-2,4-tribromo-, monosodium salt

Registry Numbers

CAS Registry Number

  • 128595-48-2

System Generated Number

  • 0128595482

Molecular Formulas

Molecular Formula

  • C10-H7-Br3-N-O3.Na

Molecular Formula Fragments

  • C10-H7-Br3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H8Br3NO3.Na/c11-5-3-6(12)8(10(14)17)9(13)4(5)1-2-7(15)16;/h3H,1-2H2,(H2,14,17)(H,15,16);/q;+1/p-1

InChIKey

MJZJNYQSRNMLEA-UHFFFAOYSA-M

Smiles

c1c(c(c(c(c1Br)C(=O)N)Br)CCC(=O)[O-])Br.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6gm/kg (6000mg/kg)   United States Patent Document. Vol. #4869913,