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Substance Name: Benzeneethanol, beta-((5-(hexyloxy)-1H-indol-2-yl)thio)-beta-methyl-
RN: 133183-31-0
InChIKey: UKXKKLXPRFBSJG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O2-S

Molecular Weight

  • 383.5531
 
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Names and Synonyms

Synonyms

  • 2-(5-Hexyloxy-1H-indol-2-ylthio)-2-phenylpropanol
  • beta-((5-(Hexyloxy)-1H-indol-2-yl)thio)-beta-methylbenzeneethanol

Systematic Name

  • Benzeneethanol, beta-((5-(hexyloxy)-1H-indol-2-yl)thio)-beta-methyl-

Registry Numbers

CAS Registry Number

  • 133183-31-0

System Generated Number

  • 0133183310

Structure Descriptors

InChI

1S/C23H29NO2S/c1-3-4-5-9-14-26-20-12-13-21-18(15-20)16-22(24-21)27-23(2,17-25)19-10-7-6-8-11-19/h6-8,10-13,15-16,24-25H,3-5,9,14,17H2,1-2H3

InChIKey

UKXKKLXPRFBSJG-UHFFFAOYSA-N

Smiles

CCCCCCOc1ccc2c(c1)cc([nH]2)SC(C)(CO)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 3gm/kg (3000mg/kg)   United States Patent Document. Vol. #5137909,