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Substance Name: Ethanethiol, 2-(2,2-diethylbutyl)amino-, hydrogen sulfate (ester)
RN: 21220-90-6
InChIKey: RQZMEDODERLGAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H23-N-O3-S2

Molecular Weight

  • 269.428
 
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Names and Synonyms

Synonyms

  • 2-((2,2-Diethylbutyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3050218
  • S-2-((2,2-Diethylbutyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(2,2-diethylbutyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-90-6

System Generated Number

  • 0021220906

Structure Descriptors

InChI

1S/C10H23NO3S2/c1-4-10(5-2,6-3)9-11-7-8-15-16(12,13)14/h11H,4-9H2,1-3H3,(H,12,13,14)

InChIKey

RQZMEDODERLGAL-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCC(CC)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.