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Substance Name: Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-propylamino)-2-isopropyl-5-methyl-, hydrochloride
RN: 16793-66-1
InChIKey: MRQBMLFQLDSBBZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-Cl2-N-O.Cl-H

Molecular Weight

  • 368.773
 
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Names and Synonyms

Synonyms

  • 4-Chloro-beta-(N-(2-chloroethyl)-N-propylamino)-2-isopropyl-5-methylphenetole hydrochloride
  • p-Cymene, 2-chloro-5-(2-(N-(2-chloroethyl)-N-propylamino)ethoxy)-, hydrochloride
  • WV 0020

Systematic Name

  • Phenetole, 4-chloro-beta-(N-(2-chloroethyl)-N-propylamino)-2-isopropyl-5-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16793-66-1

System Generated Number

  • 0016793661

Molecular Formulas

Molecular Formula

  • C17-H27-Cl2-N-O.Cl-H

Molecular Formula Fragments

  • C17-H27-Cl2-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H27Cl2NO.ClH/c1-5-7-20(8-6-18)9-10-21-17-11-14(4)16(19)12-15(17)13(2)3;/h11-13H,5-10H2,1-4H3;1H

InChIKey

MRQBMLFQLDSBBZ-UHFFFAOYSA-N

Smiles

C(CC)[N@@](CCOc1cc(C)c(cc1C(C)C)Cl)CCCl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 110mg/kg (110mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.