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Substance Name: Ethanethiol, 2-(3-phenoxypropyl)amino-, hydrogen sulfate (ester)
RN: 21224-68-0
InChIKey: GNNDJXZJUQHATP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-O4-S2

Molecular Weight

  • 291.39
 
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Names and Synonyms

Synonyms

  • 2-((3-Phenoxypropyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(3-phenoxypropyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-68-0

System Generated Number

  • 0021224680

Structure Descriptors

InChI

1S/C11H17NO4S2/c13-18(14,15)17-10-8-12-7-4-9-16-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,13,14,15)

InChIKey

GNNDJXZJUQHATP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCOc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.