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Substance Name: 2-Propenoic acid, 2-cyano-3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazino)-, ((5-nitro-2-furanyl)methylene)hydrazide
RN: 113597-39-0
InChIKey: QRCIFJCOSBEBCJ-HUSLYEITSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-N9-O7

Molecular Weight

  • 431.3237
 
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Names and Synonyms

  • 2-Propenoic acid, 2-cyano-3-((tetrahydro-1,3-dimethyl-2,6-dioxo-5-nitroso-4(1H)-pyrimidinylidene)hydrazino)-, ((5-nitro-2-furanyl)methylene)hydrazide

Registry Numbers

CAS Registry Number

  • 113597-39-0

System Generated Number

  • 0113597390

Structure Descriptors

InChI

1S/C15H13N9O7/c1-22-12(11(21-28)14(26)23(2)15(22)27)19-17-6-8(5-16)13(25)20-18-7-9-3-4-10(31-9)24(29)30/h3-4,6-7,11,17H,1-2H3,(H,20,25)/b8-6+,18-7+,19-12+

InChIKey

QRCIFJCOSBEBCJ-HUSLYEITSA-N

Smiles

CN1/C(=N/N/C=C(\C#N)/C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-])/C(C(=O)N(C1=O)C)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 860, 1987.