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Substance Name: Benzenemethanol, 4-(cyclohexylthio)-alpha-(1-(octylamino)ethyl)-, hydrochloride
RN: 54767-53-2
InChIKey: KQEZHCLTMPZEIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H39-N-O-S.Cl-H

Molecular Weight

  • 414.094
 
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Names and Synonyms

Synonyms

  • 4-(Cyclohexylthio)-alpha-(1-(octylamino)ethyl)benzenemethanol hydrochloride
  • Benzyl alcohol, 4-(cyclohexylthio)-alpha-(1-(octylamino)ethyl)-, hydrochloride

Systematic Name

  • Benzenemethanol, 4-(cyclohexylthio)-alpha-(1-(octylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54767-53-2

System Generated Number

  • 0054767532

Molecular Formulas

Molecular Formula

  • C23-H39-N-O-S.Cl-H

Molecular Formula Fragments

  • C23-H39-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H39NOS.ClH/c1-3-4-5-6-7-11-18-24-19(2)23(25)20-14-16-22(17-15-20)26-21-12-9-8-10-13-21;/h14-17,19,21,23-25H,3-13,18H2,1-2H3;1H

InChIKey

KQEZHCLTMPZEIF-UHFFFAOYSA-N

Smiles

CCCCCCCCNC(C)C(c1ccc(cc1)SC2CCCCC2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2334404,