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Substance Name: Phenetole, beta-(N-(2-chloroethyl)amino)-2-isopropyl-5-methyl-, hydrochloride
RN: 16793-49-0
InChIKey: WLTGYXAIGKLBHT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-Cl-N-O.Cl-H

Molecular Weight

  • 292.248
 
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Names and Synonyms

Synonyms

  • beta-(N-(2-Chloroethyl)amino)-2-isopropyl-5-methylphenetole hydrochloride
  • p-Cymene, 3-(2-(2-chloroethylamino)ethoxy)-, hydrochloride
  • WV 0013

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16793-49-0

System Generated Number

  • 0016793490

Molecular Formulas

Molecular Formula

  • C14-H22-Cl-N-O.Cl-H

Molecular Formula Fragments

  • C14-H22-Cl-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22ClNO.ClH/c1-11(2)13-5-4-12(3)10-14(13)17-9-8-16-7-6-15;/h4-5,10-11,16H,6-9H2,1-3H3;1H

InChIKey

WLTGYXAIGKLBHT-UHFFFAOYSA-N

Smiles

N(CCCl)CCOc1cc(C)ccc1C(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.