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Substance Name: Ethanethiol, 2-hexylamino-, hydrogen sulfate (ester)
RN: 1921-42-2
InChIKey: CXYFHCXKHPYNBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H19-N-O3-S2

Molecular Weight

  • 241.374
 
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Names and Synonyms

Synonyms

  • 2-Hexylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2414286

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1921-42-2

System Generated Number

  • 0001921422

Structure Descriptors

InChI

1S/C8H19NO3S2/c1-2-3-4-5-6-9-7-8-13-14(10,11)12/h9H,2-8H2,1H3,(H,10,11,12)

InChIKey

CXYFHCXKHPYNBO-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.