Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-
RN: 111038-94-9
InChIKey: WTSBSCIGLWOZGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.2396
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-1-propanone
  • 7-Propionyl-1,5-benzodioxypane
  • BRN 4187347

Systematic Name

  • 1-Propanone, 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-

Registry Numbers

CAS Registry Number

  • 111038-94-9

System Generated Number

  • 0111038949

Structure Descriptors

InChI

1S/C12H14O3/c1-2-10(13)9-4-5-11-12(8-9)15-7-3-6-14-11/h4-5,8H,2-3,6-7H2,1H3

InChIKey

WTSBSCIGLWOZGU-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc2c(c1)OCCCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 442, 1991.