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Substance Name: Phenetole, beta-(N-(2-bromoethyl)-N-isopropylamino)-4-chloro-2-isopropyl-5-methyl-, hydrobromide
RN: 16793-68-3
InChIKey: XDJAGVBSXHVKKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-Br-Cl-N-O.Br-H

Molecular Weight

  • 457.675
 
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Names and Synonyms

Synonyms

  • beta-(N-(2-Bromoethyl)-N-isopropylamino)-4-chloro-2-isopropyl-5-methylphenetole hydrobromide
  • p-Cymene, 5-(2-(N-(2-bromoethyl)-N-(2-propyl)amino)ethoxy)-2-chloro-, hydrobromide
  • WV 0029

Systematic Name

  • Phenetole, beta-(N-(2-bromoethyl)-N-isopropylamino)-4-chloro-2-isopropyl-5-methyl-, hydrobromide

Registry Numbers

CAS Registry Number

  • 16793-68-3

System Generated Number

  • 0016793683

Molecular Formulas

Molecular Formula

  • C17-H27-Br-Cl-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H27-Br-Cl-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27BrClNO.BrH/c1-12(2)15-11-16(19)14(5)10-17(15)21-9-8-20(7-6-18)13(3)4;/h10-13H,6-9H2,1-5H3;1H

InChIKey

XDJAGVBSXHVKKT-UHFFFAOYSA-N

Smiles

C(C)([N@@](CCBr)CCOc1cc(C)c(cc1C(C)C)Cl)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 120mg/kg (120mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.