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Substance Name: 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-methyl-6-nitro-
RN: 52042-31-6
InChIKey: NRJHCIARUNVXAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O6

Molecular Weight

  • 282.2506
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-oxo-4-(2,3-dihydroxypropyl)-6-nitro-2,3-dihydro-1,4-benzoxazine
  • 4-(2,3-Dihydroxypropyl)-2-methyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one
  • BRN 1225752

Systematic Name

  • 2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-2-methyl-6-nitro-

Registry Numbers

CAS Registry Number

  • 52042-31-6

System Generated Number

  • 0052042316

Structure Descriptors

InChI

1S/C12H14N2O6/c1-7-12(17)13(5-9(16)6-15)10-4-8(14(18)19)2-3-11(10)20-7/h2-4,7,9,15-16H,5-6H2,1H3

InChIKey

NRJHCIARUNVXAF-UHFFFAOYSA-N

Smiles

CC1C(=O)N(c2cc(ccc2O1)[N+](=O)[O-])CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 37, 1975.