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Substance Name: Ethanethiol, 2-(5-(p-methoxyphenyl)pentyl)amino-, hydrogen sulfate (ester)
RN: 21224-61-3
InChIKey: SIUJAKUGWXJHSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O4-S2

Molecular Weight

  • 333.471
 
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Names and Synonyms

Synonyms

  • 2-((5-(p-Methoxyphenyl)pentyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((5-(p-Methoxyphenyl)pentyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(5-(p-methoxyphenyl)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-61-3

System Generated Number

  • 0021224613

Structure Descriptors

InChI

1S/C14H23NO4S2/c1-19-14-8-6-13(7-9-14)5-3-2-4-10-15-11-12-20-21(16,17)18/h6-9,15H,2-5,10-12H2,1H3,(H,16,17,18)

InChIKey

SIUJAKUGWXJHSR-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCc1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.