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Substance Name: Pseudourea, 2-(1,3-dioxo-2-isoindolinyl)ethylthio-, hydrobromide
RN: 52208-11-4
InChIKey: RULZBVGLKDQUQJ-UHFFFAOYSA-N

Molecular Formulas

  • C11-H11-N3-O2-S.Br-H
  • C11-H12-N3-O2-S.Br

Molecular Weight

  • 330.2048
 
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Names and Synonyms

Synonyms

  • 2-(1,3-Dioxo-2-isoindoline)ethylthiuronium bromide
  • NSC 78517
  • Pseudourea, 2-(1,3-dioxo-2-isoindolinyl)ethylthio-, hydrobromide

Systematic Names

  • Carbamimidothioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl ester, monohydrobromide (9CI)
  • Pseudourea, 2-(1,3-dioxo-2-isoindolinyl)ethylthio-, hydrobromide

Registry Numbers

CAS Registry Number

  • 52208-11-4

System Generated Number

  • 0052208114

Molecular Formulas

Molecular Formulas

  • C11-H11-N3-O2-S.Br-H
  • C11-H12-N3-O2-S.Br

Molecular Formula Fragments

  • Br
  • Br-H
  • C11-H11-N3-O2-S
  • C11-H12-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C11H11N3O2S.BrH/c12-11(13)17-6-5-14-9(15)7-3-1-2-4-8(7)10(14)16;/h1-4H,5-6H2,(H3,12,13);1H

InChIKey

RULZBVGLKDQUQJ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)N(C2=O)CCSC(=N)N.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01293,