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Substance Name: Ethanethiol, 2-(5-phenylpentyl)amino-, hydrogen sulfate (ester)
RN: 25350-46-3
InChIKey: WIOLAWBMDVBVDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O3-S2

Molecular Weight

  • 303.445
 
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Names and Synonyms

Synonyms

  • 2-(5-Phenylpentyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2868769
  • WR 3427

Systematic Names

  • Ethanethiol, 2-(5-phenylpentyl)amino-, hydrogen sulfate (ester)
  • Thiosulfuric acid, (H2S2O3), S-(2-((5-phenylpentyl)amino)ethyl) ester (8CI,9CI)

Registry Numbers

CAS Registry Number

  • 25350-46-3

System Generated Number

  • 0025350463

Structure Descriptors

InChI

1S/C13H21NO3S2/c15-19(16,17)18-12-11-14-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,15,16,17)

InChIKey

WIOLAWBMDVBVDE-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.