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Substance Name: 1,4-Benzenediol, 2-(1-((dimethylamino)methyl)-2-methylpropyl)-5-(heptylthio)-, hydriodide
RN: 129658-39-5
InChIKey: OZXRTISPEXIWEP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H35-N-O2-S.H-I

Molecular Weight

  • 481.4754
 
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Names and Synonyms

Synonyms

  • 2-(1-((Dimethylamino)methyl)-2-methylpropyl)-5-(heptylthio)-1,4-benzenediol hydriodide
  • N,N-Dimethyl-2-(4-heptylthio)-2,5-dihydroxyphenyl-3-methylbutylamine hydriodide

Systematic Name

  • 1,4-Benzenediol, 2-(1-((dimethylamino)methyl)-2-methylpropyl)-5-(heptylthio)-, hydriodide

Registry Numbers

CAS Registry Number

  • 129658-39-5

System Generated Number

  • 0129658395

Molecular Formulas

Molecular Formula

  • C20-H35-N-O2-S.H-I

Molecular Formula Fragments

  • C20-H35-N-O2-S
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C20H35NO2S.HI/c1-6-7-8-9-10-11-24-20-13-18(22)16(12-19(20)23)17(15(2)3)14-21(4)5;/h12-13,15,17,22-23H,6-11,14H2,1-5H3;1H

InChIKey

OZXRTISPEXIWEP-UHFFFAOYSA-N

Smiles

CCCCCCCSc1cc(c(cc1O)C(CN(C)C)C(C)C)O.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 567mg/kg (567mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.