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Substance Name: Ethanethiol, 2-(4-methoxybutyl)amino-, hydrogen sulfate (ester)
RN: 21220-86-0
InChIKey: NCYUFRZUYNDRSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H17-N-O4-S2

Molecular Weight

  • 243.346
 
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Names and Synonyms

Synonyms

  • 2-((4-Methoxybutyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3049317
  • S-2-((4-Methoxybutyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21220-86-0

System Generated Number

  • 0021220860

Structure Descriptors

InChI

1S/C7H17NO4S2/c1-12-6-3-2-4-8-5-7-13-14(9,10)11/h8H,2-7H2,1H3,(H,9,10,11)

InChIKey

NCYUFRZUYNDRSP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 375mg/kg (375mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.