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Substance Name: Benzenemethanol, alpha-(1-((1-methylethyl)amino)ethyl)-4-((2-methylpropyl)thio)-, hydrochloride
RN: 54767-60-1
InChIKey: DPRCQOWHTGJVAM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N-O-S.Cl-H

Molecular Weight

  • 317.9222
 
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Names and Synonyms

Synonyms

  • alpha-(1-((1-Methylethyl)amino)ethyl)-4-((2-methylpropyl)thio)benzenemethanol hydrochloride
  • Benzyl alcohol, 4-isobutylthio-alpha-(1-(isopropylamino)ethyl)-, hydrochloride

Systematic Name

  • Benzenemethanol, alpha-(1-((1-methylethyl)amino)ethyl)-4-((2-methylpropyl)thio)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54767-60-1

System Generated Number

  • 0054767601

Molecular Formulas

Molecular Formula

  • C16-H27-N-O-S.Cl-H

Molecular Formula Fragments

  • C16-H27-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H27NOS.ClH/c1-11(2)10-19-15-8-6-14(7-9-15)16(18)13(5)17-12(3)4;/h6-9,11-13,16-18H,10H2,1-5H3;1H

InChIKey

DPRCQOWHTGJVAM-UHFFFAOYSA-N

Smiles

CC(C)CSc1ccc(cc1)C(C(C)NC(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1280mg/kg (1280mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION German Offenlegungsschrift Patent Document. Vol. #2334404,