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Substance Name: Ethanethiol, 2-(4-(p-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-86-2
InChIKey: ITIHKDXKSDQGGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O5-S2

Molecular Weight

  • 335.443
 
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Names and Synonyms

Synonyms

  • 2-((4-(p-Methoxyphenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2154534
  • S-2-((4-(p-Methoxyphenyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(p-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-86-2

System Generated Number

  • 0021224862

Structure Descriptors

InChI

1S/C13H21NO5S2/c1-18-12-4-6-13(7-5-12)19-10-3-2-8-14-9-11-20-21(15,16)17/h4-7,14H,2-3,8-11H2,1H3,(H,15,16,17)

InChIKey

ITIHKDXKSDQGGZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.