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Substance Name: 4H-1,3-Benzoxazin-4-one, 6-amino-2,3-dihydro-3-propyl-, maleate (1:1)
RN: 21044-88-2
InChIKey: DBQDMHIQTXRASW-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N2-O2.C4-H4-O4

Molecular Weight

  • 322.315
 
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Names and Synonyms

Synonyms

  • 6-Amino-2,3-dihydro-3-propyl-4H-1,3-benzoxazin-4-one maleate
  • 6-Amino-3-n-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one maleate

Systematic Name

  • 4H-1,3-Benzoxazin-4-one, 6-amino-2,3-dihydro-3-propyl-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 21044-88-2

System Generated Number

  • 0021044882

Molecular Formulas

Molecular Formula

  • C11-H14-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C11-H14-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H14N2O2.C4H4O4/c1-2-5-13-7-15-10-4-3-8(12)6-9(10)11(13)14;5-3(6)1-2-4(7)8/h3-4,6H,2,5,7,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DBQDMHIQTXRASW-BTJKTKAUSA-N

Smiles

c12c(OC[N+](C1=O)CCC)ccc(c2)[NH2+].C(=C/C(=O)[O-])\C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1038, 1968.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1038, 1968.