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Substance Name: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-
RN: 113458-71-2
InChIKey: BAMVLBHHBHCNAL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N7-O4.2H2-O

Molecular Weight

  • 383.3663
 
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Names and Synonyms

  • Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)-6,8-dimethyl-

Registry Numbers

CAS Registry Number

  • 113458-71-2

System Generated Number

  • 0113458712

Molecular Formulas

Molecular Formula

  • C17-H17-N7-O4.2H2-O

Molecular Formula Fragments

  • C17-H17-N7-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H17N7O4/c1-9-11(12(25)24(21-9)10-7-5-4-6-8-10)17-13(19-20-15(27)18-17)22(2)16(28)23(3)14(17)26/h4-8,21H,1-3H3,(H2,18,20,27)

InChIKey

BAMVLBHHBHCNAL-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)n([nH]1)c2ccccc2)C34C(=NNC(=O)N3)N(C(=O)N(C4=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 506, 1987.