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Substance Name: 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-
RN: 127119-38-4
InChIKey: PBUFBIACMNGNOK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.2664
 
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Names and Synonyms

Synonyms

  • 1-(2,3,4,5-Tetrahydro-1,6-benzodioxocin-8-yl)-1-propanone
  • 8-Propionyl-1,6-benzodioxocane
  • BRN 4188116

Systematic Name

  • 1-Propanone, 1-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)-

Registry Numbers

CAS Registry Number

  • 127119-38-4

System Generated Number

  • 0127119384

Structure Descriptors

InChI

1S/C13H16O3/c1-2-11(14)10-5-6-12-13(9-10)16-8-4-3-7-15-12/h5-6,9H,2-4,7-8H2,1H3

InChIKey

PBUFBIACMNGNOK-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc2c(c1)OCCCCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3143mg/kg (3143mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 990, 1989.