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Substance Name: Ethanethiol, 2-octylamino-, hydrogen sulfate (ester)
RN: 1921-43-3
InChIKey: RJSHVMXWGMYEBO-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-Octylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2366092

Systematic Name

  • Ethanethiol, 2-octylamino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 1921-43-3

System Generated Number

  • 0001921433

Structure Descriptors

InChI

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

InChIKey

RJSHVMXWGMYEBO-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.