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Substance Name: 2-Propen-1-one, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-
RN: 111039-00-0
InChIKey: OLJNFPBUBSDEIS-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-O3

Molecular Weight

  • 280.3214
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-2-propen-1-one
  • BRN 5578898

Systematic Name

  • 2-Propen-1-one, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenyl-

Registry Numbers

CAS Registry Number

  • 111039-00-0

System Generated Number

  • 0111039000

Structure Descriptors

InChI

1S/C18H16O3/c19-16(9-7-14-5-2-1-3-6-14)15-8-10-17-18(13-15)21-12-4-11-20-17/h1-3,5-10,13H,4,11-12H2/b9-7+

InChIKey

OLJNFPBUBSDEIS-VQHVLOKHSA-N

Smiles

c1ccc(cc1)/C=C/C(=O)c2ccc3c(c2)OCCCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2652mg/kg (2652mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 341, 1987.