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Substance Name: Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, (2,3-dihydroxypropyl) ester
RN: 63883-19-2
InChIKey: MLBJASFXUVNGLK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-O6

Molecular Weight

  • 342.345
 
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Names and Synonyms

Synonyms

  • 2,3-Dihydroxypropyl 6,11-dihydro-11-oxodibenz(b,e)oxepin-3-acetate
  • BRN 1328761

Systematic Name

  • Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-11-oxo-, (2,3-dihydroxypropyl) ester

Registry Numbers

CAS Registry Number

  • 63883-19-2

System Generated Number

  • 0063883192

Structure Descriptors

InChI

1S/C19H18O6/c20-9-14(21)11-25-18(22)8-12-5-6-16-17(7-12)24-10-13-3-1-2-4-15(13)19(16)23/h1-7,14,20-21H,8-11H2

InChIKey

MLBJASFXUVNGLK-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3CO2)=O)ccc(c1)CC(OC[C@@H](CO)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 633, 1978.