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Substance Name: Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate
RN: 137522-78-2
InChIKey: BYVDEPONSBVYIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H4-O3.2H2-O

Molecular Weight

  • 168.1116
 
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Names and Synonyms

Synonyms

  • ((4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy)acetonitrile dihydrate
  • 1,2,3,4-Tetrahydro-2,4-dioxo-6-cyanomethoxy-5-triazine dihydrate

Systematic Name

  • Acetonitrile, ((1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy)-, dihydrate

Registry Numbers

CAS Registry Number

  • 137522-78-2

System Generated Number

  • 0137522782

Molecular Formulas

Molecular Formula

  • C5-H4-O3.2H2-O

Molecular Formula Fragments

  • C5-H4-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C5H4N4O3/c6-1-2-12-5-8-3(10)7-4(11)9-5/h2H2,(H2,7,8,9,10,11)

InChIKey

BYVDEPONSBVYIL-UHFFFAOYSA-N

Smiles

C(C#N)Oc1[nH]c(=O)[nH]c(=O)n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 719, 1991.