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Substance Name: Ethanethiol, 2-(4-(o-hydroxyphenyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-51-1
InChIKey: FKUGQEPPZIDKBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O4-S2

Molecular Weight

  • 305.417
 
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Names and Synonyms

Synonyms

  • 2-((4-(o-Hydroxyphenyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((4-(o-Hydroxyphenyl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(o-hydroxyphenyl)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-51-1

System Generated Number

  • 0021224511

Structure Descriptors

InChI

1S/C12H19NO4S2/c14-12-7-2-1-5-11(12)6-3-4-8-13-9-10-18-19(15,16)17/h1-2,5,7,13-14H,3-4,6,8-10H2,(H,15,16,17)

InChIKey

FKUGQEPPZIDKBV-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCc1c(cccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.