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Substance Name: Isonicotinic acid, 2-(6,8-dioxo-5,6,7,8-tetrahydropyrimido(4,5-e)-as-triazin-3-yl)hydrazide, dihydrate
RN: 80761-64-4
InChIKey: ZDBADGCAUVMTNB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-N8-O3.2H2-O

Molecular Weight

  • 336.267
 
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Names and Synonyms

Synonym

  • Pyrimido(4,5-e)-as-triazine-6(5H),8(7H)-dione, 3-isonicotinoylhydrazino-, dihydrate

Systematic Name

  • Isonicotinic acid, 2-(6,8-dioxo-5,6,7,8-tetrahydropyrimido(4,5-e)-as-triazin-3-yl)hydrazide, dihydrate

Registry Numbers

CAS Registry Number

  • 80761-64-4

System Generated Number

  • 0080761644

Molecular Formulas

Molecular Formula

  • C11-H8-N8-O3.2H2-O

Molecular Formula Fragments

  • C11-H8-N8-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C11H8N8O3.2H2O/c20-9(6-1-3-12-4-2-6)16-18-19-5-13-8-7(17-19)10(21)15-11(22)14-8;;/h1-5,18H,(H,16,20)(H,15,21,22);2*1H2

InChIKey

ZDBADGCAUVMTNB-UHFFFAOYSA-N

Smiles

c12c(ncn(n1)NNC(c1ccncc1)=O)nc(=O)[nH]c2=O.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 789, 1981.