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Substance Name: 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-
RN: 52042-34-9
InChIKey: FKJVSLUQHHEAOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Br-N-O4

Molecular Weight

  • 330.1764
 
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Names and Synonyms

Synonyms

  • 2-Ethyl-3-oxo-4-(2,3-dihydroxypropyl)-6-bromo-2,3-dihydro-1,4-benzoxazine
  • 6-Bromo-4-(2,3-dihydroxypropyl)-2-ethyl-2H-1,4-benzoxazin-3(4H)-one
  • BRN 1140114

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 6-bromo-4-(2,3-dihydroxypropyl)-2-ethyl-

Registry Numbers

CAS Registry Number

  • 52042-34-9

System Generated Number

  • 0052042349

Structure Descriptors

InChI

1S/C13H16BrNO4/c1-2-11-13(18)15(6-9(17)7-16)10-5-8(14)3-4-12(10)19-11/h3-5,9,11,16-17H,2,6-7H2,1H3

InChIKey

FKJVSLUQHHEAOX-UHFFFAOYSA-N

Smiles

CCC1C(=O)N(c2cc(ccc2O1)Br)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.