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Substance Name: Ethanethiol, 2-(4-(m-methoxyphenyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21224-55-5
InChIKey: AZQFTMQJWDIQNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O4-S2

Molecular Weight

  • 319.444
 
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Names and Synonyms

Synonyms

  • 2-((4-(m-Methoxyphenyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((4-(m-Methoxyphenyl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(m-methoxyphenyl)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-55-5

System Generated Number

  • 0021224555

Structure Descriptors

InChI

1S/C13H21NO4S2/c1-18-13-7-4-6-12(11-13)5-2-3-8-14-9-10-19-20(15,16)17/h4,6-7,11,14H,2-3,5,8-10H2,1H3,(H,15,16,17)

InChIKey

AZQFTMQJWDIQNZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCc1cc(ccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.