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Substance Name: Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-
RN: 55689-71-9
InChIKey: MHJHFQUUNRQERU-UHFFFAOYSA-N

Molecular Formula

  • C17-H13-Cl-O4

Molecular Weight

  • 316.739
 
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Names and Synonyms

Synonyms

  • 6,11-Dihydro-8-chloro-alpha-methyl-11-oxo-dibenz(b,c)oxepin-3-acetic acid
  • BRN 1394904
  • Dibenz(b,e)oxepin-3-acetic acid, 8-chloro-6,11-dihydro-alpha-methyl-11-oxo-

Systematic Name

  • Dibenz(b,e)oxepin-3-acetic acid, 6,11-dihydro-8-chloro-alpha-methyl-11-oxo-

Registry Numbers

CAS Registry Number

  • 55689-71-9

System Generated Number

  • 0055689719

Structure Descriptors

InChI

1S/C17H13ClO4/c1-9(17(20)21)10-2-4-14-15(7-10)22-8-11-6-12(18)3-5-13(11)16(14)19/h2-7,9H,8H2,1H3,(H,20,21)

InChIKey

MHJHFQUUNRQERU-UHFFFAOYSA-N

Smiles

c12c(cc([C@@H](C(O)=O)C)cc2)OCc2c(C1=O)ccc(c2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 12mg/kg (12mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 941, 1976.