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Substance Name: Ethanethiol, 2-(2-(p-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 19143-04-5
InChIKey: VAWKCKSEPXDHCO-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-((2-(p-Methoxyphenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((2-(p-Methoxyphenyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19143-04-5

System Generated Number

  • 0019143045

Structure Descriptors

InChI

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

InChIKey

VAWKCKSEPXDHCO-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNC[C@@H](CC)Oc1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.