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Substance Name: Ethanethiol, 2-(2-phenoxyethyl)amino-, hydrogen sulfate (ester)
RN: 1085-52-5
InChIKey: CRSNGJNHERUXSD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N-O4-S2

Molecular Weight

  • 277.363
 
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Names and Synonyms

Synonyms

  • 2-(2-Phenoxyethyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2537200

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1085-52-5

System Generated Number

  • 0001085525

Structure Descriptors

InChI

1S/C10H15NO4S2/c12-17(13,14)16-9-7-11-6-8-15-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,12,13,14)

InChIKey

CRSNGJNHERUXSD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCOc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.