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Substance Name: Ethanethiol, 2-(4-(4-ethyl-2-methoxyphenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21220-76-8
InChIKey: WKAOAZCFMDJMLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O5-S2

Molecular Weight

  • 363.496
 
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Names and Synonyms

Synonyms

  • 2-((4-(4-Ethyl-2-methoxyphenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2166149
  • S-2-(4-((4-Ethyl-2-methoxyphenoxy)butyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((4-(ethyl-2-methoxyphenoxy)butyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21220-76-8

System Generated Number

  • 0021220768

Structure Descriptors

InChI

1S/C15H25NO5S2/c1-3-13-6-7-14(15(12-13)20-2)21-10-5-4-8-16-9-11-22-23(17,18)19/h6-7,12,16H,3-5,8-11H2,1-2H3,(H,17,18,19)

InChIKey

WKAOAZCFMDJMLH-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(cc(cc1)CC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.