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Substance Name: Benzenemethanol, alpha-(1-(butylamino)ethyl)-4-(ethylthio)-, hydrochloride
RN: 54767-51-0
InChIKey: OAOVNQLBDWMYHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H25-N-O-S.Cl-H

Molecular Weight

  • 303.8954
 
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Names and Synonyms

Synonyms

  • alpha-(1-(Butylamino)ethyl)-4-(ethylthio)benzenemethanol hydrochloride
  • Benzyl alcohol, alpha-(1-(butylamino)ethyl)-4-(ethylthio)-, hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54767-51-0

System Generated Number

  • 0054767510

Molecular Formulas

Molecular Formula

  • C15-H25-N-O-S.Cl-H

Molecular Formula Fragments

  • C15-H25-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H25NOS.ClH/c1-4-6-11-16-12(3)15(17)13-7-9-14(10-8-13)18-5-2;/h7-10,12,15-17H,4-6,11H2,1-3H3;1H

InChIKey

OAOVNQLBDWMYHU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 312mg/kg (312mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION German Offenlegungsschrift Patent Document. Vol. #2334404,