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Substance Name: Ethanethiol, 2-(3-(o-methoxyphenyl)propyl)amino-, hydrogen sulfate (ester)
RN: 21224-53-3
InChIKey: CLPXZXNGWRIVJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O4-S2

Molecular Weight

  • 305.417
 
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Names and Synonyms

Synonyms

  • 2-((3-(o-Methoxyphenyl)propyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((3-(o-Methoxyphenyl)propyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(3-(o-methoxyphenyl)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-53-3

System Generated Number

  • 0021224533

Structure Descriptors

InChI

1S/C12H19NO4S2/c1-17-12-7-3-2-5-11(12)6-4-8-13-9-10-18-19(14,15)16/h2-3,5,7,13H,4,6,8-10H2,1H3,(H,14,15,16)

InChIKey

CLPXZXNGWRIVJX-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCc1c(cccc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.