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Substance Name: 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
RN: 22891-52-7
InChIKey: PYVNMBGWXYJCCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-O3

Molecular Weight

  • 164.159
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-5H-1,4-benzodioxepin-5-one
  • 4-19-00-01699 (Beilstein Handbook Reference)
  • BRN 0004464

Systematic Name

  • 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-

Registry Numbers

CAS Registry Number

  • 22891-52-7

System Generated Number

  • 0022891527

Structure Descriptors

InChI

1S/C9H8O3/c10-9-7-3-1-2-4-8(7)11-5-6-12-9/h1-4H,5-6H2

InChIKey

PYVNMBGWXYJCCL-UHFFFAOYSA-N

Smiles

O1CCOC(c2c1cccc2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 607, 1975.