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Substance Name: Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride
RN: 16793-52-5
InChIKey: NVROIAXIHDARQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-Cl-N-O.Cl-H

Molecular Weight

  • 320.301
 
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Names and Synonyms

Synonyms

  • beta-(N-(2-Chloroethyl)-N-ethylamino)-2-isopropyl-5-methylphenetole hydrochloride
  • p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, hydrochloride
  • WV 778

Systematic Name

  • Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16793-52-5

System Generated Number

  • 0016793525

Molecular Formulas

Molecular Formula

  • C16-H26-Cl-N-O.Cl-H

Molecular Formula Fragments

  • C16-H26-Cl-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H26ClNO.ClH/c1-5-18(9-8-17)10-11-19-16-12-14(4)6-7-15(16)13(2)3;/h6-7,12-13H,5,8-11H2,1-4H3;1H

InChIKey

NVROIAXIHDARQX-UHFFFAOYSA-N

Smiles

C(CCl)[N@@](CCOc1cc(C)ccc1C(C)C)CC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 58mg/kg (58mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.