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Substance Name: 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-(ethoxymethyl)-
RN: 22891-60-7
InChIKey: SZUGSSXTTCVUAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-O4

Molecular Weight

  • 222.239
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-3-(ethoxymethyl)-5H-1,4-benzodioxepin-5-one
  • 5-19-05-00508 (Beilstein Handbook Reference)
  • BRN 1429202

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22891-60-7

System Generated Number

  • 0022891607

Structure Descriptors

InChI

1S/C12H14O4/c1-2-14-7-9-8-15-11-6-4-3-5-10(11)12(13)16-9/h3-6,9H,2,7-8H2,1H3

InChIKey

SZUGSSXTTCVUAY-UHFFFAOYSA-N

Smiles

O1C[C@@H](OC(c2c1cccc2)=O)COCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 10gm/kg (10000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 607, 1975.