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Substance Name: Ethanethiol, 2-(4-octyl)amino-, hydrogen sulfate (ester)
RN: 924-09-4
InChIKey: FGTLRXFTKHKPRQ-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-(4-Octyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2366080
  • Ethanethiol, 2-((1-propylpentyl)amino)-, hydrogen sulfate (ester)
  • Thiosulfuric acid, S-(2-((1-propylpentyl)amino)ethyl) ester
  • WR 2402

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 924-09-4

System Generated Number

  • 0000924094

Structure Descriptors

InChI

1S/C10H23NO3S2/c1-3-5-7-10(6-4-2)11-8-9-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)

InChIKey

FGTLRXFTKHKPRQ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCN[C@@H](CCC)CCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.