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Substance Name: 1-Propanone, 1-(4-(benzoyloxy)phenyl)-3-(dimethylamino)-, hydrochloride (9CI)
RN: 59004-89-6
InChIKey: XBPIZGITSIQYCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O3.Cl-H

Molecular Weight

  • 333.813
 
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Names and Synonyms

Synonyms

  • 1-(4-(Benzyloxy)phenyl)-3-(dimethylamino)-1-propanone hydrochloride
  • 3-(Dimethylamino)-4'-hydroxypropiophenone benzoate (ester) hydrochloride

Systematic Names

  • 1-Propanone, 1-(4-(benzoyloxy)phenyl)-3-(dimethylamino)-, hydrochloride (9CI)
  • Propiophenone, 3-(dimethylamino)-4'-hydroxy-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 59004-89-6

System Generated Number

  • 0059004896

Molecular Formulas

Molecular Formula

  • C18-H19-N-O3.Cl-H

Molecular Formula Fragments

  • C18-H19-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NO3.ClH/c1-19(2)13-12-17(20)14-8-10-16(11-9-14)22-18(21)15-6-4-3-5-7-15;/h3-11H,12-13H2,1-2H3;1H

InChIKey

XBPIZGITSIQYCS-UHFFFAOYSA-N

Smiles

CN(C)CCC(=O)c1ccc(cc1)OC(=O)c2ccccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 246mg/kg (246mg/kg)   Japanese Journal of Pharmacology. Vol. 26, Pg. 111, 1976.