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Substance Name: Ethanethiol, 2-(4-(2,4-xylyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21220-71-3
InChIKey: YFZCHLJLKYFZHE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O4-S2

Molecular Weight

  • 333.4707
 
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Names and Synonyms

Synonyms

  • 2-((4-(2,4-Xylyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2154480
  • S-2-((4-(2,4-Xylyloxy)butyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((4-(2,4-xylyloxy)butyl)amino)ethyl) ester
  • WR 3336

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21220-71-3

System Generated Number

  • 0021220713

Structure Descriptors

InChI

1S/C14H23NO4S2/c1-12-5-6-14(13(2)11-12)19-9-4-3-7-15-8-10-20-21(16,17)18/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,16,17,18)

InChIKey

YFZCHLJLKYFZHE-UHFFFAOYSA-N

Smiles

Cc1ccc(OCCCCNCCSS(=O)(=O)O)c(C)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.