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Substance Name: 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-, hydrochloride
RN: 835-93-8
InChIKey: QHGCYDCHZJJDKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O3.Cl-H

Molecular Weight

  • 257.715
 
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Names and Synonyms

Synonyms

  • 1-(1,3-Benzodioxol-5-yl)-3-(dimethylamino)-1-propanone hydrochloride
  • 5-(3-Dimethylaminopropionyl)-1,3-benzodioxolane hydrochloride

Systematic Name

  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 835-93-8

System Generated Number

  • 0000835938

Molecular Formulas

Molecular Formula

  • C12-H15-N-O3.Cl-H

Molecular Formula Fragments

  • C12-H15-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NO3.ClH/c1-13(2)6-5-10(14)9-3-4-11-12(7-9)16-8-15-11;/h3-4,7H,5-6,8H2,1-2H3;1H

InChIKey

QHGCYDCHZJJDKB-UHFFFAOYSA-N

Smiles

C(CCN(C)C)(=O)c1cc2OCOc2cc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 338mg/kg (338mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 341, 1987.