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Substance Name: 1-Propanone, 1-(2-bromo-4,5-dimethoxyphenyl)-3-(dimethylamino)-, hydrochloride
RN: 161199-93-5
InChIKey: CDXQVVSVKGTFCD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Br-N-O3.Cl-H

Molecular Weight

  • 352.6541
 
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Names and Synonyms

Synonym

  • 1-(2-Bromo-4,5-dimethoxyphenyl)-3-(dimethylamino)-1-propanone hydrochloride

Systematic Name

  • 1-Propanone, 1-(2-bromo-4,5-dimethoxyphenyl)-3-(dimethylamino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 161199-93-5

System Generated Number

  • 0161199935

Molecular Formulas

Molecular Formula

  • C13-H18-Br-N-O3.Cl-H

Molecular Formula Fragments

  • C13-H18-Br-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18BrNO3.ClH/c1-15(2)6-5-11(16)9-7-12(17-3)13(18-4)8-10(9)14;/h7-8H,5-6H2,1-4H3;1H

InChIKey

CDXQVVSVKGTFCD-UHFFFAOYSA-N

Smiles

CN(C)CCC(=O)c1cc(c(cc1Br)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 82mg/kg (82mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 835, 1994.
mouse LD50 oral 686mg/kg (686mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 835, 1994.
mouse LD50 subcutaneous 452mg/kg (452mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 44, Pg. 835, 1994.