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Substance Name: Ethanethiol, 2-((4-methoxybenzyl)amino)-, hydrogen sulfate (ester)
RN: 27976-16-5
InChIKey: YJOXSXGKJMRYKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N-O4-S2

Molecular Weight

  • 277.363
 
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Names and Synonyms

Synonyms

  • 2-((4-Methoxybenzyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2741393

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27976-16-5

System Generated Number

  • 0027976165

Structure Descriptors

InChI

1S/C10H15NO4S2/c1-15-10-4-2-9(3-5-10)8-11-6-7-16-17(12,13)14/h2-5,11H,6-8H2,1H3,(H,12,13,14)

InChIKey

YJOXSXGKJMRYKX-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCc1ccc(cc1)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.