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Substance Name: Ethanethiol, 2-(2-heptyl)amino- hydrogen sulfate (ester)
RN: 928-21-2
InChIKey: ICKCVNJKNQLYJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H21-N-O3-S2

Molecular Weight

  • 255.401
 
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Names and Synonyms

Synonyms

  • 2-(2-Heptyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2364924
  • Ethanethiol, 2-((1-methylhexyl)amino)-, hydrogen sulfate (ester)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 928-21-2

System Generated Number

  • 0000928212

Structure Descriptors

InChI

1S/C9H21NO3S2/c1-3-4-5-6-9(2)10-7-8-14-15(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)

InChIKey

ICKCVNJKNQLYJF-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCN[C@@H](CCCCC)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.