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Substance Name: Ethanethiol, 2-((4-(p-bromophenyl)butyl)amino)-, hydrogen sulfate (ester)
RN: 38914-43-1
InChIKey: SOQAFXLICCWPLR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-Br-N-O3-S2

Molecular Weight

  • 368.3142
 
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Names and Synonyms

Synonyms

  • 2-((4-(p-Bromophenyl)butyl)amino)ethanethiol, hydrogen sulfate (ester)
  • BRN 2988297

Systematic Name

  • Ethanethiol, 2-((4-(p-bromophenyl)butyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 38914-43-1

System Generated Number

  • 0038914431

Structure Descriptors

InChI

1S/C12H18BrNO3S2/c13-12-6-4-11(5-7-12)3-1-2-8-14-9-10-18-19(15,16)17/h4-7,14H,1-3,8-10H2,(H,15,16,17)

InChIKey

SOQAFXLICCWPLR-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCCCNCCSS(=O)(=O)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 43mg/kg (43mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.