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Substance Name: Phenetole, 4,6-dibromo-beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-, hydrochloride
RN: 16809-61-3
InChIKey: PMOUBZDLBNQHJZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-Br2-N-O.Cl-H

Molecular Weight

  • 415.595
 
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Names and Synonyms

Synonyms

  • 4,6-Dibromo-beta-(N,N-dimethylamino)-2-isopropyl-5-methylphenetole hydrochloride
  • p-Cymene, 2,6-dibromo-3-(2-(dimethylamino)ethoxy)-, hydrochloride
  • WV 0021

Systematic Name

  • Phenetole, 4,6-dibromo-beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 16809-61-3

System Generated Number

  • 0016809613

Molecular Formulas

Molecular Formula

  • C14-H21-Br2-N-O.Cl-H

Molecular Formula Fragments

  • C14-H21-Br2-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21Br2NO.ClH/c1-9(2)11-8-12(15)10(3)13(16)14(11)18-7-6-17(4)5;/h8-9H,6-7H2,1-5H3;1H

InChIKey

PMOUBZDLBNQHJZ-UHFFFAOYSA-N

Smiles

N(CCOc1c(c(C)c(cc1C(C)C)Br)Br)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 550mg/kg (550mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.