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Substance Name: Urea, N-(2,6-dimethylphenyl)-N'-(imino(methylamino)methyl)-N-methyl-, mononitrate
RN: 65009-22-5
InChIKey: QJHCFDNGTHZKNL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N4-O.H-N-O3

Molecular Weight

  • 297.3131
 
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Names and Synonyms

Synonyms

  • N-(2,6-Dimethylphenyl)-N'-(imino(methylamino)methyl)-N-methyl-urea nitrate
  • Urea, 1-methyl-3-methylamidino-1-(2,6-xylyl)-, nitrate

Systematic Name

  • Urea, N-(2,6-dimethylphenyl)-N'-(imino(methylamino)methyl)-N-methyl-, mononitrate

Registry Numbers

CAS Registry Number

  • 65009-22-5

System Generated Number

  • 0065009225

Molecular Formulas

Molecular Formula

  • C12-H18-N4-O.H-N-O3

Molecular Formula Fragments

  • C12-H18-N4-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C12H18N4O.HNO3/c1-8-6-5-7-9(2)10(8)16(4)12(17)15-11(13)14-3;2-1(3)4/h5-7H,1-4H3,(H3,13,14,15,17);(H,2,3,4)

InChIKey

QJHCFDNGTHZKNL-UHFFFAOYSA-N

Smiles

Cc1cccc(c1N(C)C(=O)NC(=N)NC)C.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 60mg/kg (60mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1435, 1978.