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Substance Name: Ethanethiol, 2-(2-phenylbutyl)amino-, hydrogen sulfate (ester)
RN: 27976-19-8
InChIKey: VLILKLKOJKTCAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O3-S2

Molecular Weight

  • 289.418
 
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Names and Synonyms

Synonyms

  • 2-(2-Phenylbutyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2862128

Systematic Name

  • Ethanethiol, 2-(2-phenylbutyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-19-8

System Generated Number

  • 0027976198

Structure Descriptors

InChI

1S/C12H19NO3S2/c1-2-11(12-6-4-3-5-7-12)10-13-8-9-17-18(14,15)16/h3-7,11,13H,2,8-10H2,1H3,(H,14,15,16)

InChIKey

VLILKLKOJKTCAA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNC[C@@H](c1ccccc1)CC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.