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Substance Name: 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-
RN: 126266-78-2
InChIKey: KWERTVJSMBTGIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O3

Molecular Weight

  • 254.2836
 
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Names and Synonyms

Synonyms

  • 1-(1,3-Benzodioxol-5-yl)-3-phenyl-2-propanone
  • BRN 4194010

Systematic Name

  • 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 126266-78-2

System Generated Number

  • 0126266782

Structure Descriptors

InChI

1S/C16H14O3/c17-14(8-6-12-4-2-1-3-5-12)13-7-9-15-16(10-13)19-11-18-15/h1-5,7,9-10H,6,8,11H2

InChIKey

KWERTVJSMBTGIA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CCC(=O)c2ccc3c(c2)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3643mg/kg (3643mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 660, 1989.