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Substance Name: 2H-1,5-Benzodioxepin-7-methanol, 3,4-dihydro-alpha-ethyl-
RN: 35533-71-2
InChIKey: KEHJQAQDJPWHJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O3

Molecular Weight

  • 208.255
 
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Names and Synonyms

Synonyms

  • 7-(1-Hydroxypropyl)-1,5-benzodioxypane
  • alpha-Ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-methanol
  • BRN 5335752

Systematic Name

  • 2H-1,5-Benzodioxepin-7-methanol, 3,4-dihydro-alpha-ethyl-

Registry Numbers

CAS Registry Number

  • 35533-71-2

System Generated Number

  • 0035533712

Structure Descriptors

InChI

1S/C12H16O3/c1-2-10(13)9-4-5-11-12(8-9)15-7-3-6-14-11/h4-5,8,10,13H,2-3,6-7H2,1H3

InChIKey

KEHJQAQDJPWHJF-UHFFFAOYSA-N

Smiles

O1CCCOc2c1ccc(c2)[C@@H](O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 442, 1991.