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Substance Name: Ethanethiol, 2-(4-(2,3-xylyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-89-5
InChIKey: MPDLYBOYKQTXQZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O4-S2

Molecular Weight

  • 333.471
 
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Names and Synonyms

Synonyms

  • 2-((4-(2,3-Xylyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2154494
  • S-2-((4-(2,3-Xylyloxy)butyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((4-(2,3-xylyl)butyl)amino)ethyl) ester
  • WR 4769

Systematic Name

  • Ethanethiol, 2-(4-(2,3-xylyloxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-89-5

System Generated Number

  • 0021224895

Structure Descriptors

InChI

1S/C14H23NO4S2/c1-12-6-5-7-14(13(12)2)19-10-4-3-8-15-9-11-20-21(16,17)18/h5-7,15H,3-4,8-11H2,1-2H3,(H,16,17,18)

InChIKey

MPDLYBOYKQTXQZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(c(ccc1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.