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Substance Name: WV 0057
RN: 16793-55-8
InChIKey: VDITWZLEEOWFSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-Br-N-O2.Br-H

Molecular Weight

  • 425.202
 
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Names and Synonyms

Results Name

  • WV 0057

Synonyms

  • 5-(2-((2-Bromoethyl)ethylamino)ethoxy)carvacrol hydrobromide
  • WV 0057

Systematic Name

  • Carvacrol, 5-(2-((2-bromoethyl)ethylamino)ethoxy)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 16793-55-8

System Generated Number

  • 0016793558

Molecular Formulas

Molecular Formula

  • C16-H26-Br-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-H26-Br-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H26BrNO2.BrH/c1-5-18(7-6-17)8-9-20-16-10-13(4)15(19)11-14(16)12(2)3;/h10-12,19H,5-9H2,1-4H3;1H

InChIKey

VDITWZLEEOWFSC-UHFFFAOYSA-N

Smiles

c1(cc(C(C)C)c(cc1C)OCC[N@@](CC)CCBr)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 10mg/kg (10mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.