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Substance Name: 2(3H)-Benzoxazolone, 6-(3-(3-methoxyphenyl)-1-oxo-2-propenyl)-
RN: 54903-25-2
InChIKey: NIXQLJRGSNCUAS-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N-O4

Molecular Weight

  • 295.2927
 
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Names and Synonyms

Synonyms

  • 6-(3-(3-Methoxyphenyl)-1-oxo-2-propenyl)-2(3H)-benzoxazolone
  • BRN 1003401
  • JPB 55

Systematic Name

  • 2(3H)-Benzoxazolone, 6-(3-(3-methoxyphenyl)-1-oxo-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 54903-25-2

System Generated Number

  • 0054903252

Structure Descriptors

InChI

1S/C17H13NO4/c1-21-13-4-2-3-11(9-13)5-8-15(19)12-6-7-14-16(10-12)22-17(20)18-14/h2-10H,1H3,(H,18,20)/b8-5+

InChIKey

NIXQLJRGSNCUAS-VMPITWQZSA-N

Smiles

COc1cccc(c1)/C=C/C(=O)c2ccc3c(c2)oc(=O)[nH]3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 497, 1974.