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Substance Name: Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride
RN: 16809-64-6
InChIKey: XVGSHNGMSJDMOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O3.Cl-H

Molecular Weight

  • 302.8
 
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Names and Synonyms

Synonyms

  • beta-(N,N-Dimethylamino)-2-isopropyl-5-methyl-4-nitrophenetole hydrochloride
  • p-Cymene, 5-(2-(dimethylamino)ethoxy)-2-nitro-, hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 16809-64-6

System Generated Number

  • 0016809646

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O3.Cl-H

Molecular Formula Fragments

  • C14-H22-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22N2O3.ClH/c1-10(2)12-9-13(16(17)18)11(3)8-14(12)19-7-6-15(4)5;/h8-10H,6-7H2,1-5H3;1H

InChIKey

XVGSHNGMSJDMOR-UHFFFAOYSA-N

Smiles

N(CCOc1cc(C)c(cc1C(C)C)[N+](=O)[O-])(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 305, 1967.