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Substance Name: 2-Pentanone, 5,5,5-trinitro-
RN: 5029-48-1
InChIKey: MDCNPJLSZBVFGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H7-N3-O7

Molecular Weight

  • 221.124
 
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Names and Synonyms

Synonyms

  • 4-01-00-03279 (Beilstein Handbook Reference)
  • 5,5,5-Trinitro-2-pentanone
  • BRN 1798900

Systematic Name

  • 2-Pentanone, 5,5,5-trinitro-

Registry Numbers

CAS Registry Number

  • 5029-48-1

System Generated Number

  • 0005029481

Structure Descriptors

InChI

1S/C5H7N3O7/c1-4(9)2-3-5(6(10)11,7(12)13)8(14)15/h2-3H2,1H3

InChIKey

MDCNPJLSZBVFGL-UHFFFAOYSA-N

Smiles

CC(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 300mg/kg (300mg/kg)   Farmakologiya i Toksikologiya Vol. 30, Pg. 56, 1967.