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Substance Name: Ethanethiol, 2-(4-(p-methoxybenzyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21220-99-5
InChIKey: RIPSZMTXWJMKHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O5-S2

Molecular Weight

  • 349.47
 
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Names and Synonyms

Synonyms

  • 2-((4-(p-Methoxybenzyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3067163
  • S-2-((4-(p-Methoxybenzyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21220-99-5

System Generated Number

  • 0021220995

Structure Descriptors

InChI

1S/C14H23NO5S2/c1-19-14-6-4-13(5-7-14)12-20-10-3-2-8-15-9-11-21-22(16,17)18/h4-7,15H,2-3,8-12H2,1H3,(H,16,17,18)

InChIKey

RIPSZMTXWJMKHP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOCc1ccc(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.