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Substance Name: Ethanethiol, 2-tridecylamino-, hydrogen sulfate (ester)
RN: 929-41-9
InChIKey: MDCFFJPIOHVMNO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H33-N-O3-S2

Molecular Weight

  • 339.562
 
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Names and Synonyms

Synonyms

  • 2-Tridecylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2376760
  • Thiosulfuric acid, S-(2-(tridecylamino)ethyl) ester
  • WR 2236

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 929-41-9

System Generated Number

  • 0000929419

Structure Descriptors

InChI

1S/C15H33NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-20-21(17,18)19/h16H,2-15H2,1H3,(H,17,18,19)

InChIKey

MDCFFJPIOHVMNO-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.