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Substance Name: Ethanethiol, 2-(2-(m-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-84-0
InChIKey: FOQBZVMSXHJQSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O4-S2

Molecular Weight

  • 319.444
 
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Names and Synonyms

Synonyms

  • 2-((2-(m-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((2-(m-Tolyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(2-(m-tolyloxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-84-0

System Generated Number

  • 0021224840

Structure Descriptors

InChI

1S/C13H21NO4S2/c1-3-12(10-14-7-8-19-20(15,16)17)18-13-6-4-5-11(2)9-13/h4-6,9,12,14H,3,7-8,10H2,1-2H3,(H,15,16,17)

InChIKey

FOQBZVMSXHJQSC-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNC[C@@H](CC)Oc1cc(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.