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Substance Name: Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropyl-, hydrochloride
RN: 16793-82-1
InChIKey: DDGABOXCYUEIOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-Cl-N-O.Cl-H

Molecular Weight

  • 334.328
 
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Names and Synonyms

Synonyms

  • beta-(N-(2-Chloroethyl)-N-ethylamino)-beta,5-dimethyl-2-isopropylphenetole hydrochloride
  • p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)propoxy)-, hydrochloride
  • WV 0080

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16793-82-1

System Generated Number

  • 0016793821

Molecular Formulas

Molecular Formula

  • C17-H28-Cl-N-O.Cl-H

Molecular Formula Fragments

  • C17-H28-Cl-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28ClNO.ClH/c1-6-19(10-9-18)15(5)12-20-17-11-14(4)7-8-16(17)13(2)3;/h7-8,11,13,15H,6,9-10,12H2,1-5H3;1H

InChIKey

DDGABOXCYUEIOV-UHFFFAOYSA-N

Smiles

C([C@@H]([N@@](CCCl)CC)C)Oc1cc(C)ccc1C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 33mg/kg (33mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.