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Substance Name: Ethanethiol, 2-(2-tritylethyl)amino-, hydrogen sulfate (ester)
RN: 27976-23-4
InChIKey: LUSHIYVPITXVAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H25-N-O3-S2

Molecular Weight

  • 427.586
 
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Names and Synonyms

Synonyms

  • 2-(3,3,3-Triphenylpropyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 3015564
  • Thiosulfuric acid, S-(2-((3,3,3-triphenylpropyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27976-23-4

System Generated Number

  • 0027976234

Structure Descriptors

InChI

1S/C23H25NO3S2/c25-29(26,27)28-19-18-24-17-16-23(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,24H,16-19H2,(H,25,26,27)

InChIKey

LUSHIYVPITXVAK-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCC(c1ccccc1)(c1ccccc1)c1ccccc1)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.