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Substance Name: Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-((1-methylethyl)thio)-, hydrochloride
RN: 54767-43-0
InChIKey: QPMLWLFNYCZSRR-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-(Butylamino)ethyl)-4-((1-methylethyl)thio)benzenemethanol hydrochloride
  • Benzyl alcohol, alpha-(1-(butylamino)ethyl)-4-(isopropylthio)-, hydrochloride

Systematic Name

  • Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-((1-methylethyl)thio)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 54767-43-0

System Generated Number

  • 0054767430

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/c1-5-6-11-17-13(4)16(18)14-7-9-15(10-8-14)19-12(2)3;/h7-10,12-13,16-18H,5-6,11H2,1-4H3;1H

InChIKey

QPMLWLFNYCZSRR-UHFFFAOYSA-N

Smiles

CCCCNC(C)C(c1ccc(cc1)SC(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 680mg/kg (680mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION German Offenlegungsschrift Patent Document. Vol. #2334404,