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Substance Name: Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)
RN: 27976-22-3
InChIKey: CHDCOQRRIRGECX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O3-S2

Molecular Weight

  • 317.472
 
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Names and Synonyms

Synonyms

  • 2-(6-Phenylhexyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2869942

Systematic Name

  • Ethanethiol, 2-(6-phenylhexyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-22-3

System Generated Number

  • 0027976223

Structure Descriptors

InChI

1S/C14H23NO3S2/c16-20(17,18)19-13-12-15-11-7-2-1-4-8-14-9-5-3-6-10-14/h3,5-6,9-10,15H,1-2,4,7-8,11-13H2,(H,16,17,18)

InChIKey

CHDCOQRRIRGECX-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38mg/kg (38mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.