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Substance Name: Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 23618-00-0
InChIKey: OJNDFIOARBBKBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O4-S2

Molecular Weight

  • 347.497
 
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Names and Synonyms

Synonyms

  • 2-((4-(2-Isopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
  • BRN 2159733
  • WR 33712

Systematic Names

  • Ethanethiol, 2-((4-(2-isopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2SO3), S-(2-((4-(2-(1-methylethyl)phenoxy)butyl)amino)ethyl) ester (9CI)
  • Thiosulfuric acid, S-(2-((4-(o-cumenyloxy)butyl)amino)ethyl) ester (8CI)

Registry Numbers

CAS Registry Number

  • 23618-00-0

System Generated Number

  • 0023618000

Structure Descriptors

InChI

1S/C15H25NO4S2/c1-13(2)14-7-3-4-8-15(14)20-11-6-5-9-16-10-12-21-22(17,18)19/h3-4,7-8,13,16H,5-6,9-12H2,1-2H3,(H,17,18,19)

InChIKey

OJNDFIOARBBKBP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(cccc1)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.