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Substance Name: 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-
RN: 22891-59-4
InChIKey: AWCKUTVOPBJGLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O3

Molecular Weight

  • 277.362
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydro-3-((bis(1-methylethyl)amino)methyl)-5H-1,4-benzodioxepin-5-one
  • 5-19-08-00642 (Beilstein Handbook Reference)
  • BRN 1432108

Systematic Name

  • 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-3-((bis(1-methylethyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 22891-59-4

System Generated Number

  • 0022891594

Structure Descriptors

InChI

1S/C16H23NO3/c1-11(2)17(12(3)4)9-13-10-19-15-8-6-5-7-14(15)16(18)20-13/h5-8,11-13H,9-10H2,1-4H3

InChIKey

AWCKUTVOPBJGLZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 15gm/kg (15000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 607, 1975.